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| InChIKey | IOBDBIPWYQGVMM-OQIQSJIMSA-F |
| InChI | InChI=1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/p-8/b29-17-/t24-,41-,42+,43+,44+/m1/s1 |
| SMILES | CC(=O)[C@]12N\C(=C/C3=NC(Cc4[nH]c(CC5=NC1=C(CC([O-])=O)[C@@]5(C)CCC([O-])=O)c(CCC([O-])=O)c4CC([O-])=O)=C(CCC([O-])=O)[C@]3(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O |
| #reac | |
|---|---|
| Distinct reactions in my sandbox | 0 |
| Distinct generic reactions in MNXref | 4 |
| Distinct compatimentalized reactions in models | 3 |
| Identifier | Description |
|---|---|
| chebi:57769 | precorrin-4 3,3',3'',3'''-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxylatomethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoate precorrin-4 octaanion precorrin-4(8-) |
| chebi:16430 | precorrin-4 3,3',3'',3'''-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid 3-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid Precorrin 4 |
| metacycM:CPD-651 | precorrin-4 |
| seedM:cpd03834 | Precorrin 4 pre4 precorrin-4 |
| biggM:pre4 keggC:C06407 | Precorrin 4 |
| biggM:M_pre4 chebi:14869 chebi:14873 chebi:26223 chebi:8373 keggC:M_C06407 seedM:M_cpd03834 | secondary/obsolete/fantasy identifier |
| MNXM92599 | is deprecated and replaced by this entry |
