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

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1,1'-dihydroxy-3,4-didehydro-1,2-dihydrolycopene

	Properties	Image
MNX_ID	MNXM31986
reference	chebi:132450
formula	C₄₀H₅₈O₂
global charge	0
mol weight	570.902
InChIKey	NJDYXCXZPKNDPR-ABMRICDRSA-N
InChI	InChI=1S/C40H58O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-17,19-29,41-42H,18,30-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,29-17+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
SMILES	CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O

MNX internals

InChI (mnx)	InChI=1/C40H58O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-17,19-29,41-42H,18,30-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,29-17+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
SMILES (mnx)	[CH3:1][C:33](=[CH:19]\[CH:11]=[CH:12]\[CH:20]=[C:34]([CH3:2])\[CH:22]=[CH:14]\[CH:24]=[C:36]([CH3:4])\[CH:26]=[CH:16]\[CH:28]=[C:38](/[CH3:6])[CH2:30][CH2:18][CH2:32][C:40]([CH3:9])([CH3:10])[OH:42])/[CH:21]=[CH:13]/[CH:23]=[C:35]([CH3:3])/[CH:25]=[CH:15]/[CH:27]=[C:37]([CH3:5])/[CH:29]=[CH:17]/[CH2:31][C:39]([CH3:7])([CH3:8])[OH:41]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:132450 chebi:132450 NJDYXCXZPKNDPR-ABMRICDRSA-N	1,1'-dihydroxy-3,4-didehydro-1,2-dihydrolycopene (3E)-3,4-didehydro-1,1',2,2'-tetrahydro-psi,psi-carotene-1,1'-diol 1,1'-(OH)2-3,4-Didehydrolycopene 1,1'-dihydroxy-3,4-didehydrolycopene
lipidmaps:LMPR01070180 lipidmapsM:LMPR01070180 NJDYXCXZPKNDPR-ABMRICDRSA-N	1,1'-(OH)2-3,4-Didehydrolycopene