**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

4-carboxyzymosterol

Properties Image MNX_ID MNXM1586466 reference chebi:63844 formula C28H44O3 global charge 0 mol weight 428.657 InChIKey JHIWIFRQJXLNEU-XSJUYMIFSA-N InChI InChI=1S/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,18,20-21,23-25,29H,6,8-16H2,1-5H3,(H,30,31)/t18-,20-,21+,23+,24+,25?,27-,28-/m1/s1 SMILES CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C(=O)O)[C@@H]1CC3 MNX internals InChI (mnx) InChI=1/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,18,20-21,23-25,29H,6,8-16H2,1-5H3,(H,30,31)/t18-,20-,21+,23+,24+,25?,27-,28-/m1/s1 SMILES (mnx) [CH3:1]/[C:17]([CH3:2])=[CH:7]/[CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:20]1[CH2:11][CH2:12][C@H:21]2[C:19]3=[C:22]([CH2:13][CH2:15][C@:27]12[CH3:4])[C@@:28]1([CH3:5])[CH2:16][CH2:14][C@H:24]([OH:29])[CH:25]([C:26](=[O:30])[OH:31])[C@@H:23]1[CH2:10][CH2:9]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:63844 chebi:63844 JHIWIFRQJXLNEU-XSJUYMIFSA-N	4-carboxyzymosterol 3beta-hydroxy-5alpha-cholesta-8,24-diene-4-carboxylic acid 4-carboxy-5alpha-cholesta-8(9),24-dien-3beta-ol
SLM:000485369 slm:000485369 JHIWIFRQJXLNEU-XSJUYMIFSA-M	4-carboxyzymosterol
CHEBI:64967 chebi:64967 JHIWIFRQJXLNEU-XSJUYMIFSA-M	4-carboxyzymosterol(1-) (3beta,5alpha)-3-hydroxycholesta-8,24-diene-4-carboxylate 3beta-hydroxy-5alpha-cholesta-8,24-diene-4-carboxylate 4-carboxylatozymosterol 4-carboxyzymosterol