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N-retinylidene-N-retinylethanolamine

PropertiesImage
MNX_IDMNXM114152 Image of MNXM114152
referencechebi:71980
formulaC42H58NO
global charge1
mol weight592.932
InChIKeyWPWFMRDPTDEJJA-FAXVYDRBSA-N
InChIInChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/c2cc(/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)cc[n+]2CCO)C(C)(C)CCC1
MNX internals
InChI (mnx)InChI=1/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+ Image of MNXM114152
SMILES (mnx)[CH3:1][C:32](=[CH:14]\[CH:10]=[CH:16]\[C:34]([CH3:3])=[CH:30]\[c:38]1[cH:31][c:37](/[CH:19]=[CH:11]/[CH:15]=[C:33]([CH3:2])/[CH:21]=[CH:23]/[C:40]2=[C:36]([CH3:5])[CH2:18][CH2:13][CH2:26][C:42]2([CH3:8])[CH3:9])[cH:24][cH:27][n+:43]1[CH2:28][CH2:29][OH:44])/[CH:20]=[CH:22]/[C:39]1=[C:35]([CH3:4])[CH2:17][CH2:12][CH2:25][C:41]1([CH3:6])[CH3:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-2466848
reactomeM:R-ALL-2466848
reactome:R-ALL-2467742
reactomeM:R-ALL-2467742
reactome:R-ALL-2467755
reactomeM:R-ALL-2467755
CHEBI:71980
chebi:71980
WPWFMRDPTDEJJA-FAXVYDRBSA-N 		N-retinylidene-N-retinylethanolamine
2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl]-1-(2-hydroxyethyl)-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]pyridinium
A2E
di-retinoid-pyridinium-ethanolamine

vmhM:M00535
vmhM:M00535
vmhmetabolite:M00535
vmhmetabolite:M00535 		2-Acyl-Sn-Glycero-3-Phosphocholine
hmdb:HMDB0060196
WPWFMRDPTDEJJA-FAXVYDRBSA-N 		N-Retinylidene-N-retinylethanolamine
2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl]-1-(2-hydroxyethyl)-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]pyridin-1-ium
A2E
Di-retinoid-pyridinium-ethanolamine

lipidmaps:LMPR01090056
lipidmapsM:LMPR01090056
WPWFMRDPTDEJJA-FAXVYDRBSA-N 		N-Retinylidene-N-retinylethanolamine
A2-E
A2E
di-retinoid-pyridinium-ethanolamine

bigg.metabolite:CE5747
biggM:CE5747
WPWFMRDPTDEJJA-FAXVYDRBSA-N 		N-retinylidene-N-retinylethanolamine

vmhM:CE5747
vmhM:CE5747
vmhmetabolite:CE5747
vmhmetabolite:CE5747
WPWFMRDPTDEJJA-FAXVYDRBSA-N 		N-retinylidene-N-retinylethanolamine
2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl]-1-(2-hydroxyethyl)-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,

hmdb:HMDB60196
biggM:M_CE5747
vmhM:M_CE5747
vmhM:M_M00535 		secondary/obsolete/fantasy identifier