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brassicasterol

PropertiesImage
MNX_IDMNXM1370963 Image of MNXM1370963
referencechebi:3168
formulaC28H46O
global charge0
mol weight398.675
InChIKeyOILXMJHPFNGGTO-ZAUYPBDWSA-N
InChIInChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1 Image of MNXM1370963
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C@@H:19]([CH3:3])/[CH:7]=[CH:8]/[C@@H:20]([CH3:4])[C@H:24]1[CH2:11][CH2:12][C@H:25]2[C@@H:23]3[CH2:10][CH:9]=[C:21]4[CH2:17][C@@H:22]([OH:29])[CH2:13][CH2:15][C@:27]4([CH3:5])[C@H:26]3[CH2:14][CH2:16][C@:28]12[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3168
chebi:3168
OILXMJHPFNGGTO-ZAUYPBDWSA-N 		brassicasterol
(22E)-ergosta-5,22-dien-3beta-ol
(22E,24R)-24-methylcholesta-5,22-dien-3beta-ol
(3beta,22E)-ergosta-5,22-dien-3-ol
24(R)-methylcholesta-5,22E-dien-3beta-ol
24-methyl cholest-5,22-dien-3beta-ol
brassicasterin
ergosta-5,22(E)-dien-3beta-ol
ergosta-5,22E-dien-3beta-ol

bigg.metabolite:brasstrl
biggM:brasstrl
sabiork.compound:10905
sabiorkM:10905
OILXMJHPFNGGTO-ZAUYPBDWSA-N 		Brassicasterol
hmdb:HMDB0011181
OILXMJHPFNGGTO-ZAUYPBDWSA-N 		Brassicasterol
(1S,2R,5S,10S,11S,14R,15R)-14-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol
(22E,24R)-24-Methylcholesta-5,22-dien-3b-ol
(22E,24R)-24-Methylcholesta-5,22-dien-3beta-ol
(22E,24R)-Ergosta-5,22-dien-3beta-ol
(3b,22E)-Ergosta-5,22-dien-3-ol
(3beta,22E)-Ergosta-5,22-dien-3-ol
(3beta,22E)-ergosta-5,22-dien-3-ol
24 beta-Methylcholesta-5,22-dien-3 beta-ol
24(R)-Methylcholesta-5,22E-dien-3b-ol
24(R)-Methylcholesta-5,22E-dien-3beta-ol
24-Methyl cholest-5,22-dien-3b-ol
24-Methyl cholest-5,22-dien-3beta-ol
24-Methylcholesta-5,22-dien-3beta-ol
Brassicasterin
Epibrassicasterol
Ergosta-5,22(e)-dien-3b-ol
Ergosta-5,22(e)-dien-3beta-ol
Ergosta-5,22-dien-3 beta-ol
Ergosta-5,22-dien-3beta-ol
Ergosta-5,22E-dien-3b-ol
Ergosta-5,22E-dien-3beta-ol
delta5,22-Ergostadien-3beta-ol
delta5,22-Ergostadienol
delta5,22-ergostadien-3beta-ol
delta5,22-ergostadienol
trans-22-Dehydrocampestrol

kegg.compound:C08813
keggC:C08813
OILXMJHPFNGGTO-ZAUYPBDWSA-N 		Brassicasterol
(3beta,22E)-Ergosta-5,22-dien-3-ol

lipidmaps:LMST01030098
lipidmapsM:LMST01030098
OILXMJHPFNGGTO-ZAUYPBDWSA-N 		Brassicasterol
O
ST 28:2
ergosta-5,22E-dien-3beta-ol

seed.compound:cpd05718
seedM:cpd05718
OILXMJHPFNGGTO-ZAUYPBDWSA-N 		Brassicasterol
brassicasterol

metacyc.compound:CPD-4161
metacycM:CPD-4161
OILXMJHPFNGGTO-ZAUYPBDWSA-N 		brassicasterol

hmdb:HMDB11181
biggM:M_brasstrl
keggC:M_C08813
seedM:M_cpd05718 		secondary/obsolete/fantasy identifier