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avenasterol

PropertiesImage
MNX_IDMNXM737159 Image of MNXM737159
referencechebi:166888
formulaC29H48O
global charge0
mol weight412.702
InChIKeyMCWVPSBQQXUCTB-OQTIOYDCSA-N
InChIInChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
SMILESC/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1 Image of MNXM737159
SMILES (mnx)[CH3:1]/[CH:7]=[C:21](/[CH2:9][CH2:8][C@@H:20]([CH3:4])[C@H:25]1[CH2:12][CH2:13][C@H:26]2[C:24]3=[CH:11][CH2:10][C@H:22]4[CH2:18][C@@H:23]([OH:30])[CH2:14][CH2:16][C@:28]4([CH3:5])[C@H:27]3[CH2:15][CH2:17][C@:29]12[CH3:6])[CH:19]([CH3:2])[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166888
chebi:166888
MCWVPSBQQXUCTB-OQTIOYDCSA-N 		avenasterol
(24Z)-5alpha-stigmasta-7,24(28)-dien-3beta-ol
(Z)-24-ethylidene-5alpha-cholest-7-en-3beta-ol
24Z-ethylidene-cholest-7-en-3beta-ol
24Z-ethylidenelathosterol
7-dehydroavenasterol
Delta(7)-avenasterol
Delta-7-avenasterol
delta-7-avenasterol
delta7-avenasterol

lipidmaps:LMST01040154
lipidmapsM:LMST01040154
MCWVPSBQQXUCTB-OQTIOYDCSA-N 		Delta7-Avenasterol
24Z-ethylidene-cholest-7-en-3beta-ol
O
ST 29:2

kegg.compound:C15782
keggC:C15782
MCWVPSBQQXUCTB-OQTIOYDCSA-N 		Delta7-Avenasterol
7-Dehydroavenasterol

metacyc.compound:CPD-4125
metacycM:CPD-4125
seed.compound:cpd24468
seedM:cpd24468
MCWVPSBQQXUCTB-OQTIOYDCSA-N 		avenasterol
hmdb:HMDB0006851
MCWVPSBQQXUCTB-OQTIOYDCSA-N 		delta7-Avenasterol
(1R,2S,5S,7S,11R,14R,15R)-14-[(2R,5Z)-5-isopropylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol
(1R,2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R,5Z)-5-(propan-2-yl)hept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol
(24Z)-24-Ethyl-5alpha-cholesta-7,24(28)-dien-3beta-ol
(24Z)-5alpha-Stigmasta-7,24(28)-dien-3beta-ol
(3beta,5alpha,24Z)-Stigmasta-7,24(28)-dien-3-ol
(Z)-5alpha-Stigmasta-7,24(28)-dien-3beta-ol
24Z-Ethylidenelathosterol
3beta-Hydroxy-5alpha-stigmasta-7,24(28)Z-diene
5alpha-Stigmasta-7,24(28)-dien-3-ol
5alpha-Stigmasta-7,24(28)-dien-3beta-ol
5alpha-Stigmasta-7,Z-24(28)-diene-3.beta-ol
5alpha-Stigmasta-7,Z-24(28)-diene-3beta-ol
7-Dehydroavenasterol
Avenasterol
Z-24-Ethylidene-5alpha-cholest-7-en-3beta-ol

seed.compound:cpd14518
seedM:cpd14518
MCWVPSBQQXUCTB-OQTIOYDCSA-N 		delta7-Avenasterol
7-Dehydroavenasterol

hmdb:HMDB06851
chebi:80096
keggC:M_C15782
seedM:M_cpd14518
seedM:M_cpd24468 		secondary/obsolete/fantasy identifier