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5-dehydroepisterol

MNXM5738 is deprecated and here replaced by MNXM1370323
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370323 Image of MNXM1370323
referencechebi:52972
formulaC28H44O
global charge0
mol weight396.659
InChIKeyZEPNVCGPJXYABB-LOIOQLKMSA-N
InChIInChI=1S/C28H44O/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/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MNX internals
InChI (mnx)InChI=1/C28H44O/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/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3/t20-,22+,24-,25+,26+,27+,28-/m1/s1 Image of MNXM1370323
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C:19](=[CH2:3])[CH2:7][CH2:8][C@@H:20]([CH3:4])[C@H:24]1[CH2:11][CH2:12][C@H:25]2[C:23]3=[CH: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)19
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52972
chebi:52972
ZEPNVCGPJXYABB-LOIOQLKMSA-N 		5-dehydroepisterol
ergosta-5,7,24(28)-trien-3beta-ol

seed.compound:cpd14515
seedM:cpd14515
ZEPNVCGPJXYABB-LSYBVYQNSA-N 		5,7,24(28)-Ergostatrienol
5,7,24(28)-ergostatrienol
ergosta-5,7,24(28)-trienol
ergtrol
hmdb:HMDB0006848
ZEPNVCGPJXYABB-LOIOQLKMSA-N 		5-Dehydroepisterol
(1S,2R,5S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,9-dien-5-ol
(3beta)-Ergosta-5,7,24(28)-trien-3-ol
Campesta-7,24(28)-dien-3beta-ol
Ergosta-5,7,24(28)-trien-3beta-ol

kegg.compound:C15780
keggC:C15780
ZEPNVCGPJXYABB-LOIOQLKMSA-N 		5-Dehydroepisterol
5,7,24(28)-Ergostatrienol
Ergosta-5,7,24(28)-trien-3beta-ol

seed.compound:cpd14516
seedM:cpd14516
ZEPNVCGPJXYABB-LOIOQLKMSA-N 		5-Dehydroepisterol
5-dehydro episterol
ergosta-5,7,24(28)-trien-3beta-ol

lipidmaps:LMST01030135
lipidmapsM:LMST01030135
ZEPNVCGPJXYABB-LOIOQLKMSA-N 		5-dehydroepisterol
24-methylene-cholesta-5,7-dien-3beta-ol
O
ST 28:3

SLM:000000318
slm:000000318
ZEPNVCGPJXYABB-LOIOQLKMSA-N 		ergosta-5,7,24(28)-trien-3beta-ol

metacyc.compound:CPD-700
metacycM:CPD-700
ZEPNVCGPJXYABB-LOIOQLKMSA-N 		ergosta-5,7,24(28)-trien-3beta-ol
5,7,24(28)-ergostatrienol
5-dehydro episterol

hmdb:HMDB06848
keggC:M_C15780
seedM:M_cpd14515
seedM:M_cpd14516 		secondary/obsolete/fantasy identifier