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

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asukamycin

	Properties	Image
MNX_ID	MNXM42898
reference	chebi:73481
formula	C₃₁H₃₄N₂O₇
global charge	0
mol weight	546.62
InChIKey	SSHVAUUEPNULMP-JHWDTTIQSA-N
InChI	InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t29-,30-,31+/m1/s1
SMILES	O=C(/C=C/C=C/C=C/C1CCCCC1)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O

MNX internals

InChI (mnx)	InChI=1/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t29-,30-,31+/m1/s1
SMILES (mnx)	[CH:1](=[CH:2]/[CH:9]=[CH:15]/[C:25](=[N:32]/[C:22]1=[CH:20][C@:31](/[CH:19]=[CH:11]/[CH:4]=[CH:3]/[CH:10]=[CH:16]/[C:26](=[N:33]/[C:27]2=[C:23]([OH:34])[CH2:17][CH2:18][C:24]2=[O:35])[OH:37])([OH:39])[C@H:30]2[C@@H:29]([C:28]1=[O:38])[O:40]2)[OH:36])\[CH:6]=[CH:12]\[CH:21]1[CH2:13][CH2:7][CH2:5][CH2:8][CH2:14]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:73481 chebi:73481 lipidmaps:LMFA08020166 lipidmapsM:LMFA08020166 SSHVAUUEPNULMP-JHWDTTIQSA-N	asukamycin (2E,4E,6E)-7-cyclohexyl-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]hepta-2,4,6-trienamide AM 1042 Asukamycin asukamycin A1
kegg.compound:C12099 keggC:C12099 SSHVAUUEPNULMP-JHWDTTIQSA-N	Asukamycin
seed.compound:cpd08881 seedM:cpd08881 SSHVAUUEPNULMP-JHWDTTIQSA-M	Asukamycin asukamycin
metacyc.compound:CPD-18764 metacycM:CPD-18764 SSHVAUUEPNULMP-JHWDTTIQSA-N	asukamycin
chebi:29521 keggC:M_C12099 seedM:M_cpd08881	secondary/obsolete/fantasy identifier