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(1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol

PropertiesImage
MNX_IDMNXM4160 Image of MNXM4160
referencechebi:47820
formulaC23H34O3
global charge0
mol weight358.522
InChIKeyAOVGFTJYESGAEA-NKLFQLIUSA-N
InChIInChI=1S/C23H34O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,12,15,19-22,25-26H,2,4-5,8-11,13-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20-,21+,22+,23-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC=O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C23H34O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,12,15,19-22,25-26H,2,4-5,8-11,13-14H2,1,3H3/b17-6+,18-7-/t15-,19-,20-,21+,22+,23-/m1/s1 Image of MNXM4160
SMILES (mnx)[CH3:1][C@H:15]([CH2:10][CH:12]=[O:24])[C@H:20]1[CH2:8][CH2:9][C@H:21]2/[C:17](=[CH:6]/[CH:7]=[C:18]3/[CH2:13][C@@H:19]([OH:25])[CH2:14][C@H:22]([OH:26])[C:16]3=[CH2:2])[CH2:5][CH2:4][CH2:11][C@:23]12[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:47820
chebi:47820
lipidmaps:LMST03020687
lipidmapsM:LMST03020687
AOVGFTJYESGAEA-NKLFQLIUSA-N 		(1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol
(1S,3R,5Z,7E)-1,3-dihydroxy-24-nor-9,10-secochola-5,7,10(19)-trien-23-al
24,25,26,27-tetranor-23-oxo-1alpha-hydroxycholecalciferol
24,25,26,27-tetranor-23-oxo-1alpha-hydroxyvitamin B3
tetranor-23-oxo-1alpha(OH)D3

SLM:000000481
slm:000000481
AOVGFTJYESGAEA-WLBSMBCHSA-N 		(1S)-hydroxy-23-oxo-24,25,26,27-tetranorcalciol