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

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zeinoxanthin

MNXM97172 is deprecated and here replaced by MNXM739741
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM739741
reference	chebi:65244
formula	C₄₀H₅₆O
global charge	0
mol weight	552.887
InChIKey	NBZANZVJRKXVBH-NHWXEJKLSA-N
InChI	InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1
SMILES	CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C

MNX internals

InChI (mnx)	InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1
SMILES (mnx)	[CH3:1][C:30](=[CH:16]\[CH:11]=[CH:12]\[CH:17]=[C:31]([CH3:2])\[CH:19]=[CH:14]\[CH:21]=[C:33]([CH3:4])\[CH:24]=[CH:26]\[C:38]1=[C:35]([CH3:6])[CH2:28][C@@H:36]([OH:41])[CH2:29][C:40]1([CH3:9])[CH3:10])/[CH:18]=[CH:13]/[CH:20]=[C:32]([CH3:3])/[CH:23]=[CH:25]/[C@H:37]1[C:34]([CH3:5])=[CH:22][CH2:15][CH2:27][C:39]1([CH3:7])[CH3:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:65244 chebi:65244 NBZANZVJRKXVBH-NHWXEJKLSA-N	zeinoxanthin (3R,6'R)-beta,epsilon-Caroten-3-ol (3R,6'R)-beta,epsilon-caroten-3-ol 3-Hydroxy-alpha-carotene
seed.compound:cpd05497 seedM:cpd05497 NBZANZVJRKXVBH-NHWXEJKLSA-N	Zeinoxanthin (3R,6'R)-beta,epsilon-Caroten-3-ol (3R,6'R)-beta,epsilon-caroten-3-ol 3-Hydroxy-alpha-carotene 3-hydroxy-alpha-carotene beta,epsilon-carotene-3-ol zeinoxanthin
kegg.compound:C08590 keggC:C08590 NBZANZVJRKXVBH-NHWXEJKLSA-N	Zeinoxanthin (3R,6'R)-beta,epsilon-Caroten-3-ol 3-Hydroxy-alpha-carotene
lipidmaps:LMPR01070268 lipidmapsM:LMPR01070268	alpha-Cryptoxanthin (3R,6'R)-beta,epsilon-Caroten-3-ol 3-Hydroxy-alpha-carotene Zeinoxanthin
metacyc.compound:CPD-5661 metacycM:CPD-5661 NBZANZVJRKXVBH-NHWXEJKLSA-N	zeinoxanthin (3R,6'R)-beta,epsilon-caroten-3-ol 3-hydroxy-alpha-carotene beta,epsilon-carotene-3-ol
keggC:M_C08590 seedM:M_cpd05497	secondary/obsolete/fantasy identifier