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4alpha-carboxyzymosterol

MNXM6904 is deprecated and here replaced by MNXM739474
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739474 Image of MNXM739474
referencechebi:143575
formulaC28H43O3
global charge-1
mol weight427.649
InChIKeyJHIWIFRQJXLNEU-GSQAGGHASA-M
InChIInChI=1S/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,18,20-21,23-25,29H,6,8-16H2,1-5H3,(H,30,31)/p-1/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C(=O)[O-])[C@@H]1CC3
MNX internals
InChI (mnx)InChI=1/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,18,20-21,23-25,29H,6,8-16H2,1-5H3,(H,30,31)/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1 Image of MNXM739474
SMILES (mnx)[CH3:1][C:17]([CH3:2])=[CH:7][CH2:6][CH2:8][C@@H:18]([CH3:3])[C@H:20]1[CH2:11][CH2:12][C@H:21]2[C:19]3=[C:22]([CH2:13][CH2:15][C@:27]12[CH3:4])[C@@:28]1([CH3:5])[CH2:16][CH2:14][C@H:24]([OH:29])[C@@H:25]([C:26](=[O:30])[OH:31])[C@@H:23]1[CH2:10][CH2:9]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)16
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143575
chebi:143575
JHIWIFRQJXLNEU-GSQAGGHASA-M 		4alpha-carboxyzymosterol
4alpha-carboxyzymosterol(1-)

kegg.compound:C22112
keggC:C22112
JHIWIFRQJXLNEU-GSQAGGHASA-N 		4alpha-Carboxy-5alpha-cholesta-8,24-dien-3beta-ol

metacyc.compound:CPD-4702
metacycM:CPD-4702
seed.compound:cpd24533
seedM:cpd24533
JHIWIFRQJXLNEU-GSQAGGHASA-M 		4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol

lipidmaps:LMST01010522
lipidmapsM:LMST01010522
JHIWIFRQJXLNEU-GSQAGGHASA-N 		4alpha-carboxy-zymosterol
4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol
O3
ST 28:3

keggC:M_C22112
seedM:M_cpd24533 		secondary/obsolete/fantasy identifier