EVODEX.1-R2216 - Reaction

SMIRKS

[H][O:24][C:23]([C@@:22]([C:21]([O:20][C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:182])([H:183])[H:184])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])[H:167])[H:166])([H:164])[H:165])([H:162])[H:163])([H:160])[H:161])([H:158])[H:159])([H:156])[H:157])([H:154])[H:155])([H:152])[H:153])=[O:19])([H:150])[H:151])([O:25][C:26](=[O:27])[C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35](=[C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])[H:133])[H:134])([H:135])[H:136])([H:137])[H:138])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:114])[H:115].[C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C@@:51]([O:52][H:185])([C:53]([C:54](=[C:55]([C:56]([C:57]([C:58]([C:59]([C:60]([C:61]([C:62]([C:63](=[O:64])[S:65][C:66]([C:67]([N:68]([C:69](=[O:70])[C:71]([C:72]([N:73]([C:74](=[O:75])[C@:76]([O:77][H:186])([C:78]([C:79]([H:187])([H:188])[H:189])([C:80]([H:190])([H:191])[H:192])[C:81]([O:82][P:83](=[O:84])([O:85][H:193])[O:86][P:87](=[O:88])([O:89][H:194])[O:90][C:91]([C@@:92]1([H:195])[O:93][C@:94]([N:95]2:[C:96]([H:196]):[N:97]:[C:98]3:[C:99]([N:100]([H:197])[H:198]):[N:101]:[C:102]([H:199]):[N:103]:[C:104]:2:3)([H:200])[C@@:105]([O:106][H:201])([H:202])[C@@:107]1([O:108][P:109](=[O:110])([O:111][H:203])[O:112][H:204])[H:205])([H:206])[H:207])([H:208])[H:209])[H:210])[H:211])([H:212])[H:213])([H:214])[H:215])[H:216])([H:217])[H:218])([H:219])[H:220])([H:221])[H:222])([H:223])[H:224])([H:225])[H:226])([H:227])[H:228])([H:229])[H:230])([H:231])[H:232])([H:233])[H:234])[H:235])[H:236])([H:237])[H:238])[H:239])([H:240])[H:241])([H:242])[H:243])([H:244])[H:245])([H:246])[H:247])([H:248])[H:249])([H:250])([H:251])[H:252]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:20][C:21]([C@:22]([C:23]([O:24][C:63]([C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55](=[C:54]([C:53]([C@@:51]([C:50]([C:49]([C:48]([C:47]([C:46]([C:45]([H:250])([H:251])[H:252])([H:248])[H:249])([H:246])[H:247])([H:244])[H:245])([H:242])[H:243])([H:240])[H:241])([O:52][H:185])[H:239])([H:237])[H:238])[H:236])[H:235])([H:233])[H:234])([H:231])[H:232])([H:229])[H:230])([H:227])[H:228])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])=[O:64])([H:114])[H:115])([O:25][C:26](=[O:27])[C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35](=[C:36]([C:37]([C:38]([C:39]([C:40]([C:41]([C:42]([C:43]([C:44]([H:116])([H:117])[H:118])([H:119])[H:120])([H:121])[H:122])([H:123])[H:124])([H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([H:131])[H:132])[H:133])[H:134])([H:135])[H:136])([H:137])[H:138])([H:139])[H:140])([H:141])[H:142])([H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[H:159])([H:160])[H:161])([H:162])[H:163])([H:164])[H:165])[H:166])[H:167])([H:168])[H:169])([H:170])[H:171])([H:172])[H:173])([H:174])[H:175])([H:176])[H:177])([H:178])[H:179])([H:180])[H:181])([H:182])([H:183])[H:184].[H][S:65][C:66]([C:67]([N:68]([C:69](=[O:70])[C:71]([C:72]([N:73]([C:74](=[O:75])[C@:76]([O:77][H:186])([C:78]([C:79]([H:187])([H:188])[H:189])([C:80]([H:190])([H:191])[H:192])[C:81]([O:82][P:83](=[O:84])([O:85][H:193])[O:86][P:87](=[O:88])([O:89][H:194])[O:90][C:91]([C@@:92]1([H:195])[O:93][C@:94]([N:95]2:[C:96]([H:196]):[N:97]:[C:98]3:[C:99]([N:100]([H:197])[H:198]):[N:101]:[C:102]([H:199]):[N:103]:[C:104]:2:3)([H:200])[C@@:105]([O:106][H:201])([H:202])[C@@:107]1([O:108][P:109](=[O:110])([O:111][H:203])[O:112][H:204])[H:205])([H:206])[H:207])([H:208])[H:209])[H:210])[H:211])([H:212])[H:213])([H:214])[H:215])[H:216])([H:217])[H:218])([H:219])[H:220]

Source Database Data

Rxn Index	Original Reaction Text	Natural	Organism	Protein Refs	Protein DB	EC Number
113429	ricinoleoyl-CoA + 1,2-dioleoyl-sn-glycerol = 1,2-dioleoyl-3-ricinoleoyl-sn-glycerol + CoA	False	Claviceps purpurea		nan	2.3.1.20

Derived Partial Reactions

EVODEX.1-P1671

[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:63]([C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55](=[C:54]([C:53]([C@@:51]([C:50]([C:49]([C:48]([C:47]([C:46]([C:45]([H:250])([H:251])[H:252])([H:248])[H:249])([H:246])[H:247])([H:244])[H:245])([H:242])[H:243])([H:240])[H:241])([O:52][H:185])[H:239])([H:237])[H:238])[H:236])[H:235])([H:233])[H:234])([H:231])[H:232])([H:229])[H:230])([H:227])[H:228])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])=[O:64])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])O[C:63]([C:62]([C:61]([C:60]([C:59]([C:58]([C:57]([C:56]([C:55](=[C:54]([C:53]([C@@:51]([C:50]([C:49]([C:48]([C:47]([C:46]([C:45]([H:250])([H:251])[H:252])([H:248])[H:249])([H:246])[H:247])([H:244])[H:245])([H:242])[H:243])([H:240])[H:241])([O:52][H:185])[H:239])([H:237])[H:238])[H:236])[H:235])([H:233])[H:234])([H:231])[H:232])([H:229])[H:230])([H:227])[H:228])([H:225])[H:226])([H:223])[H:224])([H:221])[H:222])=[O:64]