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

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alpha-Zeacarotene

MNXM6167 is deprecated and here replaced by MNXM738873
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM738873
reference	hmdb:HMDB0036909
formula	C₄₀H₅₈
global charge	0
mol weight	538.904
InChIKey	IGABZIVJSNQMPZ-XWGRIQFUSA-N
InChI	InChI=1S/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19-,34-20+,35-24-,36-25+,37-27-
SMILES	CC(C)=CCC/C(C)=C\CC/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/C1C(C)=CCCC1(C)C

MNX internals

InChI (mnx)	InChI=1/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H3/b12-11+,22-14+,23-16+,30-29+,33-19-,34-20+,35-24-,36-25+,37-27-/t39?
SMILES (mnx)	[CH3:1][C:32]([CH3:2])=[CH:18][CH2:13][CH2:21]/[C:35]([CH3:5])=[CH:24]\[CH2:15][CH2:26]/[C:36]([CH3:6])=[CH:25]/[CH:14]=[CH:22]/[C:33]([CH3:3])=[CH:19]\[CH:11]=[CH:12]\[CH:20]=[C:34]([CH3:4])\[CH:23]=[CH:16]\[CH:27]=[C:37]([CH3:7])/[CH:29]=[CH:30]/[CH:39]1[C:38]([CH3:8])=[CH:28][CH2:17][CH2:31][C:40]1([CH3:9])[CH3:10]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036909 IGABZIVJSNQMPZ-XWGRIQFUSA-N	alpha-Zeacarotene 6-[(1E,3Z,5E,7E,9E,11Z,13E,15E,19Z)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,19,23-decaen-1-yl]-1,5,5-trimethylcyclohex-1-ene 7',8'-dihydro-e,Y-carotene 7',8'-dihydro-epsilon,Psi-carotene Zeacarotene Zeacarotene, (6R)-isomer Zeacarotene, (trans)-isomer a-Zeacarotene alpha-zeacarotene beta-Zeacarotene
hmdb:HMDB36909	secondary/obsolete/fantasy identifier