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ergosta-5,7-dien-3betabeta-ol

PropertiesImage
MNX_IDMNXM35558 Image of MNXM35558
referencechebi:66918
formulaC28H46O
global charge0
mol weight398.675
InChIKeyZKQRGSXITBHHPC-VVQHAZRASA-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/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
SMILESCC(C)[C@@H](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
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/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1 Image of MNXM35558
SMILES (mnx)[CH3:1][CH:18]([CH3:2])[C@@H:19]([CH3:3])[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)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66918
chebi:66918
ZKQRGSXITBHHPC-VVQHAZRASA-N 		ergosta-5,7-dien-3betabeta-ol
(3beta)-ergosta-5,7-dien-3-ol
22,23-dihydroergosterol
24-methylcholesta-5,7-dien-3-beta-ol
24S-methylcholesta-5,7-dien-3beta-ol
5,7-ergostadienol
Delta(5,7)-ergostadien-3beta-ol
delta(5,7)-Ergostadienol
dihydroergosterol
ergosta-5,7-dien-3beta-ol
provitamin D4

lipidmaps:LMST01031027
lipidmapsM:LMST01031027
ZKQRGSXITBHHPC-VVQHAZRASA-N 		22-dihydroergosterol
Ergosta-5,7-dien-3beta-ol
O
Provitamin D4
ST 28:2

SLM:000000466
slm:000000466
ZKQRGSXITBHHPC-VVQHAZRASA-N 		ergosta-5,7-dien-3betabeta-ol

metacyc.compound:CPD-14894
metacycM:CPD-14894
seed.compound:cpd35810
seedM:cpd35810
ZKQRGSXITBHHPC-VVQHAZRASA-N 		ergosta-5,7-dienol

seedM:M_cpd35810 		secondary/obsolete/fantasy identifier