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

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beta-Bixin

MNXM10827 is deprecated and here replaced by MNXM1107696
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1107696
reference	chebi:175964
formula	C₂₅H₃₀O₄
global charge	0
mol weight	394.511
InChIKey	RAFGELQLHMBRHD-IFNPSABLSA-N
InChI	InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15+
SMILES	COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)O

MNX internals

InChI (mnx)	InChI=1/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15+
SMILES (mnx)	[CH3:1][C:20](=[CH:10]\[CH:6]=[CH:7]\[CH:11]=[C:21]([CH3:2])\[CH:13]=[CH:9]\[CH:15]=[C:23]([CH3:4])\[CH:17]=[CH:19]\[C:25](=[O:28])[O:29][CH3:5])/[CH:12]=[CH:8]/[CH:14]=[C:22]([CH3:3])/[CH:16]=[CH:18]/[C:24](=[O:26])[OH:27]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:175964 chebi:175964 RAFGELQLHMBRHD-IFNPSABLSA-N	beta-Bixin (2E,4E,6E,8E,10E,12E,14E,16E,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
lipidmaps:LMPR01070210 lipidmapsM:LMPR01070210 RAFGELQLHMBRHD-IFNPSABLSA-N	Bixin
seed.compound:cpd05489 seedM:cpd05489 RAFGELQLHMBRHD-IFNPSABLSA-M	Bixin Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate bixin
hmdb:HMDB0035074 RAFGELQLHMBRHD-IFNPSABLSA-N	beta-Bixin (2E,4E,6E,8E,10E,12E,14E,16E,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid 6'-Methyl hydrogen 9'-Z-6,6'-diapocarotene-6,6'-dioate 6'-Methyl hydrogen 9'-Z-6,6'-diapocarotene-6,6'-dioic acid 6'-Methyl hydrogen 9'-cis-6,6'-diapocarotene-6,6'-dioate 6'-Methyl hydrogen 9'-cis-6,6'-diapocarotene-6,6'-dioic acid Bixin Labile bixin Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioic acid b-Bixin beta-bixin bixin
metacyc.compound:CPD-7972 metacycM:CPD-7972 RAFGELQLHMBRHD-IFNPSABLSA-M	bixin
hmdb:HMDB35074 seedM:M_cpd05489	secondary/obsolete/fantasy identifier