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isonocardicin A

PropertiesImage
MNX_IDMNXM732872 Image of MNXM732872
referencechebi:77633
formulaC23H22N4O9
global charge-2
mol weight498.448
InChIKeyCTNZOGJNVIFEBA-MOKAZRKYSA-L
InChIInChI=1S/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/p-2/b26-18-/t16-,17-,19+/m0/s1
SMILES[NH3+][C@@H](CCOC1=CC=C(/C(=N/[O-])C(=O)N[C@H]2CN([C@@H](C(=O)[O-])C3=CC=C(O)C=C3)C2=O)C=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)/b26-18-/t16-,17-,19+/m0/s1 Image of MNXM732872
SMILES (mnx)[CH:1]1=[CH:5][C:14]([OH:28])=[CH:6][CH:2]=[C:13]1[C@H:19]([C:23](=[O:33])[OH:34])[N:27]1[CH2:11][C@H:17](/[N:25]=[C:20]([C:18](/[C:12]2=[CH:4][CH:8]=[C:15]([O:36][CH2:10][CH2:9][C@@H:16]([C:22](=[O:31])[OH:32])[NH2:24])[CH:7]=[CH:3]2)=[N:26]\[OH:35])\[OH:29])[C:21]1=[O:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77633
chebi:77633
CTNZOGJNVIFEBA-MOKAZRKYSA-L 		isonocardicin A
(2S)-2-ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-oxido-2-oxoethanimidoyl]phenoxy}butanoate
isonocardicin A(2-)

vmhM:isncrdna
vmhmetabolite:isncrdna
CTNZOGJNVIFEBA-MOKAZRKYSA-N 		Isonocardicin A

seed.compound:cpd00687
seedM:cpd00687
CTNZOGJNVIFEBA-MOKAZRKYSA-M 		Isonocardicin A
(2R)-2-azaniumyl-4-{4-[(1Z)-2-({(3S)-1-[carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate
(2S)-2-amino-4-{4-[(1E)-{[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl}(hydroxyimino)methyl]phenoxy}butanoate
1-Azetidineacetic acid
1-azetidineacetic acid
isonocardicin A
isonocardicin B

kegg.compound:C00927
keggC:C00927
CTNZOGJNVIFEBA-MOKAZRKYSA-N 		Isonocardicin A
1-Azetidineacetic acid

CHEBI:142510
chebi:142510
CTNZOGJNVIFEBA-MOKAZRKYSA-N 		isonocardicin A zwitterion
(2S)-2-ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate

CHEBI:57788
chebi:57788
CTNZOGJNVIFEBA-MOKAZRKYSA-M 		isonocardicin A(1-)
(2S)-2-ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate
isonocardicin A anion

CHEBI:16483
chebi:16483
CTNZOGJNVIFEBA-MOKAZRKYSA-N 		isonocardicin A
1-azetidineacetic acid
O-{4-[(1Z)-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenyl}-L-homoserine

metacyc.compound:CPD-19209
metacycM:CPD-19209
CTNZOGJNVIFEBA-MOKAZRKYSA-M 		isonocardicin B

chebi:14470
chebi:24904
chebi:6033
keggC:M_C00927
seedM:M_cpd00687
vmhM:M_isncrdna 		secondary/obsolete/fantasy identifier