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3,12-Dioxo-5beta-chol-14-en-24-oic Acid

PropertiesImage
MNX_IDMNXM27430 Image of MNXM27430
referencechebi:197071
formulaC24H34O4
global charge0
mol weight386.532
InChIKeyYRVLVRGBVUBNJV-BPCQACFLSA-N
InChIInChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h8,14-15,17-18,20H,4-7,9-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,20+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC=C2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C
MNX internals
InChI (mnx)InChI=1/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h8,14-15,17-18,20H,4-7,9-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,20+,23+,24-/m1/s1 Image of MNXM27430
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:9][C:22](=[O:27])[OH:28])[C@H:18]1[CH2:7][CH:8]=[C:19]2[C@@H:17]3[CH2:6][CH2:5][C@@H:15]4[CH2:12][C:16](=[O:25])[CH2:10][CH2:11][C@:23]4([CH3:2])[C@H:20]3[CH2:13][C:21](=[O:26])[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:197071
chebi:197071
YRVLVRGBVUBNJV-BPCQACFLSA-N 		3,12-Dioxo-5beta-chol-14-en-24-oic Acid
(4R)-4-[(5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,12-dioxo-2,4,5,6,7,8,9,11,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010295
lipidmapsM:LMST04010295
YRVLVRGBVUBNJV-BPCQACFLSA-N 		3,12-Dioxo-5beta-chol-14-en-24-oic Acid
O4
ST 24:4