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staphyloferrin A

MNXM82705 is deprecated and here replaced by MNXM1105062
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1105062 Image of MNXM1105062
referencechebi:142973
formulaC17H19N2O14
global charge-5
mol weight475.339
InChIKeyVJSIXUQLTJCRCS-DFQXCPINSA-I
InChIInChI=1S/C17H24N2O14/c20-9(4-16(32,14(28)29)6-11(22)23)18-3-1-2-8(13(26)27)19-10(21)5-17(33,15(30)31)7-12(24)25/h8,32-33H,1-7H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)/p-5/t8-,16+,17-/m1/s1
SMILESO=C([O-])C[C@@](O)(CC(=O)NCCC[C@@H](NC(=O)C[C@@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C17H24N2O14/c20-9(4-16(32,14(28)29)6-11(22)23)18-3-1-2-8(13(26)27)19-10(21)5-17(33,15(30)31)7-12(24)25/h8,32-33H,1-7H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)/t8-,16+,17-/m1/s1 Image of MNXM1105062
SMILES (mnx)[CH2:1]([CH2:2][C@H:8]([C:13](=[O:26])[OH:27])[N:19]=[C:10]([CH2:5][C@@:17]([CH2:7][C:12](=[O:24])[OH:25])([C:15](=[O:30])[OH:31])[OH:33])[OH:21])[CH2:3][N:18]=[C:9]([CH2:4][C@:16]([CH2:6][C:11](=[O:22])[OH:23])([C:14](=[O:28])[OH:29])[OH:32])[OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142973
chebi:142973
VJSIXUQLTJCRCS-DFQXCPINSA-I 		staphyloferrin A
staphyloferrin A(5-)

bigg.metabolite:stfrnA
biggM:stfrnA
kegg.compound:C22102
keggC:C22102
VJSIXUQLTJCRCS-PJPOUAMNSA-N
VJSIXUQLTJCRCS-UHFFFAOYSA-N 		Staphyloferrin A

seed.compound:cpd23484
seedM:cpd23484
VJSIXUQLTJCRCS-PJPOUAMNSA-I 		staphyloferrin A
2-[2-({(1R)-1-carboxy-4-[(3,4-dicarboxy-3-hydroxybutanoyl)amino]butyl}amino)-2-oxoethyl]-2-hydroxysuccinate
N2,N5-di-(1-oxo-3-hydroxy-3,4-dicarboxybutyl)-D-ornithine

metacyc.compound:CPD-12589
metacycM:CPD-12589
VJSIXUQLTJCRCS-DFQXCPINSA-I 		staphyloferrin A
2-[2-({(1R)-1-carboxy-4-[(3,4-dicarboxy-3-hydroxybutanoyl)amino]butyl}amino)-2-oxoethyl]-2-hydroxysuccinate
N2-[(R)-citryl],N5-[(S)-citryl]-D-ornithine

CHEBI:84711
chebi:84711
VJSIXUQLTJCRCS-PJPOUAMNSA-N 		staphyloferrin A
2-[2-({(1R)-1-carboxy-4-[(3,4-dicarboxy-3-hydroxybutanoyl)amino]butyl}amino)-2-oxoethyl]-2-hydroxysuccinic acid
N(2),N(5)-di-(1-oxo-3-hydroxy-3,4-dicarboxybutyl)-D-ornithine

biggM:M_stfrnA
keggC:M_C22102
seedM:M_cpd23484 		secondary/obsolete/fantasy identifier