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

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10-deoxymethynolide

MNXM3783 is deprecated and here replaced by MNXM1363837
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1363837
reference	chebi:29461
formula	C₁₇H₂₈O₄
global charge	0
mol weight	296.407
InChIKey	NZUJVBSYQXETNF-PQWITYJESA-N
InChI	InChI=1S/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1
SMILES	CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/[C@H]1C

MNX internals

InChI (mnx)	InChI=1/C17H28O4/c1-6-15-10(2)7-8-14(18)11(3)9-12(4)16(19)13(5)17(20)21-15/h7-8,10-13,15-16,19H,6,9H2,1-5H3/b8-7+/t10-,11-,12+,13-,15-,16+/m1/s1
SMILES (mnx)	[CH3:1][CH2:6][C@@H:15]1[C@H:10]([CH3:2])/[CH:7]=[CH:8]/[C:14](=[O:18])[C@H:11]([CH3:3])[CH2:9][C@H:12]([CH3:4])[C@H:16]([OH:19])[C@@H:13]([CH3:5])[C:17](=[O:20])[O:21]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29461 chebi:29461 NZUJVBSYQXETNF-PQWITYJESA-N	10-deoxymethynolide (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
kegg.compound:C11993 keggC:C11993 vmhM:10dmthnld vmhmetabolite:10dmthnld NZUJVBSYQXETNF-PQWITYJESA-N	10-Deoxymethynolide
seed.compound:cpd08790 seedM:cpd08790 NZUJVBSYQXETNF-PQWITYJESA-N	10-Deoxymethynolide 10-deoxymethynolide
metacyc.compound:CPD-13831 metacycM:CPD-13831 NZUJVBSYQXETNF-PQWITYJESA-N	10-deoxymethynolide
keggC:M_C11993 seedM:M_cpd08790 vmhM:M_10dmthnld	secondary/obsolete/fantasy identifier