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

Feedback

lubimin

	Properties	Image
MNX_ID	MNXM60430
reference	chebi:27774
formula	C₁₅H₂₄O₂
global charge	0
mol weight	236.355
InChIKey	CEVNHRPKRNTGKO-ZSAUSMIDSA-N
InChI	InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1
SMILES	C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2C=O

MNX internals

InChI (mnx)	InChI=1/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1
SMILES (mnx)	[CH2:1]=[C:10]([CH3:2])[C@@H:12]1[CH2:4][CH2:5][C@:15]2([CH2:8]1)[C@H:11]([CH3:3])[CH2:6][C@H:14]([OH:17])[CH2:7][C@@H:13]2[CH:9]=[O:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27774 chebi:27774 CEVNHRPKRNTGKO-ZSAUSMIDSA-N	lubimin (2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane-6-carbaldehyde (2R,5S,6S,8S,10R)-8-hydroxy-2-isopropenyl-10-methylspiro[4.5]decane-6-carbaldehyde Lubimin
kegg.compound:C09700 keggC:C09700 CEVNHRPKRNTGKO-ZSAUSMIDSA-N	Lubimin
seed.compound:cpd06594 seedM:cpd06594 CEVNHRPKRNTGKO-ZSAUSMIDSA-N	Lubimin lubimin
metacyc.compound:CPD-4743 metacycM:CPD-4743 CEVNHRPKRNTGKO-ZSAUSMIDSA-N	lubimin
chebi:25077 chebi:6551 keggC:M_C09700 seedM:M_cpd06594	secondary/obsolete/fantasy identifier