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(5Z,7E)-(3S,22S)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol

PropertiesImage
MNX_IDMNXM30669 Image of MNXM30669
referencechebi:173058
formulaC23H36O2
global charge0
mol weight344.539
InChIKeyHPIRTWXNAZXKAX-BZVOLASHSA-N
InChIInChI=1S/C23H36O2/c1-15-7-10-20(25)14-19(15)9-8-18-6-5-13-23(4)21(11-12-22(18)23)16(2)17(3)24/h8-9,16-17,20-22,24-25H,1,5-7,10-14H2,2-4H3/b18-8+,19-9-/t16-,17+,20+,21-,22+,23-/m1/s1
SMILESC=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)[C@H](C)O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C23H36O2/c1-15-7-10-20(25)14-19(15)9-8-18-6-5-13-23(4)21(11-12-22(18)23)16(2)17(3)24/h8-9,16-17,20-22,24-25H,1,5-7,10-14H2,2-4H3/b18-8+,19-9-/t16-,17+,20+,21-,22+,23-/m1/s1 Image of MNXM30669
SMILES (mnx)[CH2:1]=[C:15]1[CH2:7][CH2:10][C@H:20]([OH:25])[CH2:14]/[C:19]1=[CH:9]/[CH:8]=[C:18]1\[CH2:6][CH2:5][CH2:13][C@:23]2([CH3:4])[C@@H:21]([C@H:16]([CH3:2])[C@H:17]([CH3:3])[OH:24])[CH2:11][CH2:12][C@@H:22]12
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
IdentifierDescription

CHEBI:173058
chebi:173058
HPIRTWXNAZXKAX-BZVOLASHSA-N 		(5Z,7E)-(3S,22S)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-hydroxybutan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

lipidmaps:LMST03020016
lipidmapsM:LMST03020016
HPIRTWXNAZXKAX-BZVOLASHSA-N 		(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalciferol
(5Z,7E)-(3S,22S)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol