MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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germanicol

	Properties	Image
MNX_ID	MNXM5168
reference	chebi:62455
formula	C₃₀H₅₀O
global charge	0
mol weight	426.729
InChIKey	QMUXVPRGNJLGRT-PNTWTTAKSA-N
InChI	InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3/t20-,22+,23-,24+,27-,28+,29-,30-/m1/s1
SMILES	CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1

MNX internals

InChI (mnx)	InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3/t20-,22+,23-,24+,27-,28+,29-,30-/m1/s1
SMILES (mnx)	[CH3:1][C:25]1([CH3:2])[CH2:15][CH2:16][C@:27]2([CH3:5])[CH2:17][CH2:18][C@:29]3([CH3:7])[C@H:20]([CH2:9][CH2:10][C@@H:23]4[C@@:28]5([CH3:6])[CH2:13][CH2:12][C@H:24]([OH:31])[C:26]([CH3:3])([CH3:4])[C@@H:22]5[CH2:11][CH2:14][C@:30]43[CH3:8])[C:21]2=[CH:19]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62455 chebi:62455 QMUXVPRGNJLGRT-PNTWTTAKSA-N	germanicol (3beta)-olean-18-en-3-ol 5alpha-olean-18-en-3beta-ol olean-18-en-3beta-ol
kegg.compound:C19833 keggC:C19833 QMUXVPRGNJLGRT-PNTWTTAKSA-N	Germanicol (3beta)-Olean-18-en-3-ol
seed.compound:cpd21075 seedM:cpd21075 QMUXVPRGNJLGRT-PNTWTTAKSA-N	Germanicol (3beta)-Olean-18-en-3-ol germanicol
metacyc.compound:GERMANICOL metacycM:GERMANICOL QMUXVPRGNJLGRT-PNTWTTAKSA-N	germanicol
keggC:M_C19833 seedM:M_cpd21075	secondary/obsolete/fantasy identifier