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

(22S)-22-hydroxycampest-4-en-3-one

Properties Image MNX_ID MNXM1371528 reference chebi:72330 formula C28H46O2 global charge 0 mol weight 414.674 InChIKey FMFAICDKESPFNH-NQMBQAPESA-N InChI InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22+,23-,24+,25+,26+,27+,28-/m1/s1 SMILES CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22+,23-,24+,25+,26+,27+,28-/m1/s1 SMILES (mnx) [CH2:1]1[CH2:2][C:28](=[O:29])[CH:3]=[C:4]2[CH2:5][CH2:6][C@@H:14]3[C@@H:13]([C@:7]12[CH3:12])[CH2:8][CH2:9][C@@:16]1([CH3:17])[CH:15]3[CH2:10][CH2:11][C@H:27]1[C@@H:24]([C@@H:19]([CH2:18][C@@H:25]([CH:20]([CH3:21])[CH3:22])[CH3:26])[OH:30])[CH3:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 17 in models (compartimentalized) 4

Similar chemical compounds in external resources

Identifier	Description
CHEBI:72330 chebi:72330 FMFAICDKESPFNH-NQMBQAPESA-N	(22S)-22-hydroxycampest-4-en-3-one (22S,24R)-22-Hydroxy-ergost-4 en-3-one (22S,24R)-22-hydroxyergost-4-en-3-one (22alpha)-hydroxycampest-4-en-3-one 22S-hydroxycampest-4-en-3-one 22alpha-Hydroxy-campest-4-en-3-one
kegg.compound:C15796 keggC:C15796 FMFAICDKESPFNH-QXZYODRQSA-N	(22S)-22-Hydroxycampest-4-en-3-one (22S,24R)-22-Hydroxy-ergost-4 en-3-one 22alpha-Hydroxy-campest-4-en-3-one
metacyc.compound:CPD-3945 metacycM:CPD-3945 FMFAICDKESPFNH-NQMBQAPESA-N	(22S)-22-hydroxy-campest-4-en-3-one (22S,24R)-22-hydroxy-ergost-4-en-3-one (22alpha)-hydroxy-campest-4-en-3-one
hmdb:HMDB0012113 FMFAICDKESPFNH-NQMBQAPESA-N	(22alpha)-Hydroxy-campest-4-en-3-one (1S,2R,10S,11S,14R,15S)-14-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one (22S)-22-Hydroxy-campest-4-en-3-one (22S,24R)-22-Hydroxy-ergost-4 en-3-one (22S,24R)-22-Hydroxy-ergost-4-en-3-one (22S,24R)-22-Hydroxyergost-4-en-3-one (22a)-Hydroxy-campest-4-en-3-one (22a)-Hydroxycampest-4-en-3-one (22alpha)-Hydroxycampest-4-en-3-one (22alpha)-hydroxy-campest-4-en-3-one (22alpha)-hydroxycampest-4-en-3-one 22S-Hydroxycampest-4-en-3-one 22a-Hydroxy-campest-4-en-3-one 22alpha-Hydroxy-campest-4-en-3-one 22alpha-hydroxy-campest-4-en-3-one
lipidmaps:LMST01031116 lipidmapsM:LMST01031116 FMFAICDKESPFNH-NQMBQAPESA-N	22S-hydroxy-campest-4-en-3-one (22S, 24R)-22-hydroxyergost-4-en-3-one O2 ST 28:2
seed.compound:cpd14532 seedM:cpd14532 FMFAICDKESPFNH-NQMBQAPESA-N	22alpha-Hydroxy-campest-4-en-3-one (22S)-22-hydroxy-campest-4-en-3-one (22S,24R)-22-Hydroxy-ergost-4 en-3-one (22S,24R)-22-hydroxy-ergost-4-en-3-one (22alpha)-hydroxy-campest-4-en-3-one
hmdb:HMDB12113 keggC:M_C15796 seedM:M_cpd14532	secondary/obsolete/fantasy identifier