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(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al

MNXM4180 is deprecated and here replaced by MNXM1104489
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104489 Image of MNXM1104489
referencechebi:34596
formulaC25H34O3
global charge0
mol weight382.544
InChIKeyMFDUGTOOXGORRX-ZROAIIAPSA-N
InChIInChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23-24(4,5)16-22(27)17-25(23,6)28/h7-14,18,22,27-28H,16-17H2,1-6H3/b8-7+,12-9+,19-10+,20-13+,21-11+/t15?,22-,25+/m0/s1
SMILESC/C(C=O)=C\C=C\C=C(C)\C=C\C=C(/C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O
MNX internals
InChI (mnx)InChI=1/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23-24(4,5)16-22(27)17-25(23,6)28/h7-14,18,22,27-28H,16-17H2,1-6H3/b8-7+,12-9+,19-10+,20-13+,21-11+/t15?,22-,25+/m0/s1 Image of MNXM1104489
SMILES (mnx)[CH3:1][C:19](=[CH:10]\[CH:7]=[CH:8]\[CH:11]=[C:21](/[CH3:3])[CH:18]=[O:26])/[CH:12]=[CH:9]/[CH:13]=[C:20](\[CH3:2])[CH:14]=[C:15]=[C:23]1[C:24]([CH3:4])([CH3:5])[CH2:16][C@H:22]([OH:27])[CH2:17][C@@:25]1([CH3:6])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:34596
chebi:34596
MFDUGTOOXGORRX-ZROAIIAPSA-N 		(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
(2E,4E,6E,8E,10E,12R)-13-[(1R,2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
C25-Allenic-apo-aldehyde

SLM:000501106
slm:000501106
MFDUGTOOXGORRX-ZROAIIAPSA-N 		(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
hmdb:HMDB0303973
MFDUGTOOXGORRX-ZROAIIAPSA-N 		(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
(2E,4E,6E,8E,10E)-13-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
(3S,5R,6R)-3,5-Dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-b-caroten-12'-al
(3S,5R,6R)-3,5-Dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
C25-allenic-apo-aldehyde

lipidmaps:LMPR01070293
lipidmapsM:LMPR01070293
MFDUGTOOXGORRX-ZROAIIAPSA-N 		(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
13-[(1R)-2R,4S-dihydroxy-2,6,6-trimethylcyclohexylidene]-2,7,11-trimethyltrideca-2E,4E,6E,8E,10E,12R-hexaenal
C25-Allenic-apo-aldehyde

metacyc.compound:CPD1F-4
metacycM:CPD1F-4
MFDUGTOOXGORRX-ORGLZDQCSA-N 		(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
C25-allenic-apo-aldehyde

kegg.compound:C14044
keggC:C14044
MFDUGTOOXGORRX-ZROAIIAPSA-N 		C25-Allenic-apo-aldehyde
(3S,5R,6R)-3,5-Dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al

seed.compound:cpd09769
seedM:cpd09769
MFDUGTOOXGORRX-ZROAIIAPSA-N 		C25-Allenic-apo-aldehyde
(3S,5R,6R)-3,5-Dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
C25-allenic-apo-aldehyde

keggC:M_C14044
seedM:M_cpd09769 		secondary/obsolete/fantasy identifier