Search MNXref
 Feedback

1alpha-Hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid

PropertiesImage
MNX_IDMNXM34049 Image of MNXM34049
referencechebi:173161
formulaC24H36O4
global charge0
mol weight388.548
InChIKeyOOUYRLBHGAIYSC-JIOPYBTOSA-N
InChIInChI=1S/C24H36O4/c1-15(6-11-23(27)28)20-9-10-21-17(5-4-12-24(20,21)3)7-8-18-13-19(25)14-22(26)16(18)2/h7-8,15,19-22,25-26H,2,4-6,9-14H2,1,3H3,(H,27,28)/b17-7+,18-8-/t15-,19-,20-,21+,22+,24-/m1/s1
SMILESC=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C24H36O4/c1-15(6-11-23(27)28)20-9-10-21-17(5-4-12-24(20,21)3)7-8-18-13-19(25)14-22(26)16(18)2/h7-8,15,19-22,25-26H,2,4-6,9-14H2,1,3H3,(H,27,28)/b17-7+,18-8-/t15-,19-,20-,21+,22+,24-/m1/s1 Image of MNXM34049
SMILES (mnx)[CH3:1][C@H:15]([CH2:6][CH2:11][C:23](=[O:27])[OH:28])[C@H:20]1[CH2:9][CH2:10][C@H:21]2/[C:17](=[CH:7]/[CH:8]=[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][CH2:12][C@:24]12[CH3:3]
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
IdentifierDescription

CHEBI:173161
chebi:173161
OOUYRLBHGAIYSC-JIOPYBTOSA-N 		1alpha-Hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid
(4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]pentanoic acid

lipidmaps:LMST03020022
lipidmapsM:LMST03020022
OOUYRLBHGAIYSC-JIOPYBTOSA-N 		1alpha-hydroxy-25,26,27-trinorvitamin D3 24-carboxylic acid
(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-cholatrien-24-oic acid