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

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2-cis-(+)-abscisic aldehyde

	Properties	Image
MNX_ID	MNXM1998
reference	chebi:31157
formula	C₁₅H₂₀O₃
global charge	0
mol weight	248.322
InChIKey	RIKWDZWVHUIUAM-KICRZJJPSA-N
InChI	InChI=1S/C15H20O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-9,18H,10H2,1-4H3/b7-5+,11-6-/t15-/m1/s1
SMILES	CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C=O

MNX internals

InChI (mnx)	InChI=1/C15H20O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-9,18H,10H2,1-4H3/b7-5+,11-6-/t15-/m1/s1
SMILES (mnx)	[CH3:1][C:11](/[CH:5]=[CH:7]/[C@@:15]1([OH:18])[C:12]([CH3:2])=[CH:9][C:13](=[O:17])[CH2:10][C:14]1([CH3:3])[CH3:4])=[CH:6]/[CH:8]=[O:16]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31157 chebi:31157 RIKWDZWVHUIUAM-KICRZJJPSA-N	2-cis-(+)-abscisic aldehyde (+)-abscisic aldehyde (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienal Abscisic aldehyde
SLM:000501166 slm:000501166 RIKWDZWVHUIUAM-WXLRGLDMSA-N	( )-abscisic aldehyde
SLM:000501506 slm:000501506 RIKWDZWVHUIUAM-KICRZJJPSA-N	(+)-abscisic aldehyde
metacyc.compound:CPD-692 metacycM:CPD-692 RIKWDZWVHUIUAM-KICRZJJPSA-N	(+)-cis-abscisic aldehyde (+)-cis-ABA aldehyde (+)-cis-abscisic acid aldehyde
hmdb:HMDB0303940 RIKWDZWVHUIUAM-KICRZJJPSA-N	(+)-cis-abscisic aldehyde (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienal 2-cis-(+)-Abscisic aldehyde Abscisic aldehyde abscisic aldehyde
sabiork.compound:15460 sabiorkM:15460 kegg.compound:C13455 keggC:C13455 RIKWDZWVHUIUAM-KICRZJJPSA-N RIKWDZWVHUIUAM-WXLRGLDMSA-N	Abscisic aldehyde
seed.compound:cpd09441 seedM:cpd09441 RIKWDZWVHUIUAM-KICRZJJPSA-N	Abscisic aldehyde (+)-cis-ABA aldehyde (+)-cis-abscisic acid aldehyde (+)-cis-abscisic aldehyde
CHEBI:22144 chebi:22144 lipidmaps:LMPR0103050004 lipidmapsM:LMPR0103050004 RIKWDZWVHUIUAM-KICRZJJPSA-N RIKWDZWVHUIUAM-WXLRGLDMSA-N	abscisic aldehyde (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienal
keggC:M_C13455 seedM:M_cpd09441	secondary/obsolete/fantasy identifier