Search MNXref
 Feedback

staphyloferrin B

MNXM82706 is deprecated and here replaced by MNXM740638
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM740638 Image of MNXM740638
referencechebi:136993
formulaC16H22N4O11
global charge-2
mol weight446.369
InChIKeySIAZVTIHOHTZDD-PWJLMRLQSA-L
InChIInChI=1S/C16H24N4O11/c17-8(13(25)26)7-20-12(24)6-16(31,15(29)30)5-11(23)19-4-3-18-10(22)2-1-9(21)14(27)28/h8,31H,1-7,17H2,(H,18,22)(H,19,23)(H,20,24)(H,25,26)(H,27,28)(H,29,30)/p-2/t8-,16-/m0/s1
SMILES[NH3+][C@@H](CNC(=O)C[C@@](O)(CC(=O)NCCNC(=O)CCC(=O)C(=O)[O-])C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C16H24N4O11/c17-8(13(25)26)7-20-12(24)6-16(31,15(29)30)5-11(23)19-4-3-18-10(22)2-1-9(21)14(27)28/h8,31H,1-7,17H2,(H,18,22)(H,19,23)(H,20,24)(H,25,26)(H,27,28)(H,29,30)/t8-,16-/m0/s1 Image of MNXM740638
SMILES (mnx)[CH2:1]([CH2:2][C:10](=[N:18][CH2:3][CH2:4][N:19]=[C:11]([CH2:5][C@:16]([CH2:6][C:12](=[N:20][CH2:7][C@@H:8]([C:13](=[O:25])[OH:26])[NH2:17])[OH:24])([C:15](=[O:29])[OH:30])[OH:31])[OH:23])[OH:22])[C:9]([C:14]([OH:27])=[O:28])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136993
chebi:136993
SIAZVTIHOHTZDD-PWJLMRLQSA-L 		staphyloferrin B
5-[(2-{[(3S)-5-{[(2S)-2-azaniumyl-2-carboxylatoethyl]amino}-3-carboxylato-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoate
staphyloferrin B(2-)

kegg.compound:C22075
keggC:C22075
SIAZVTIHOHTZDD-UOCSPZAXSA-N 		Staphyloferrin B

metacyc.compound:CPD-12590
metacycM:CPD-12590
seed.compound:cpd23485
seedM:cpd23485
SIAZVTIHOHTZDD-UOCSPZAXSA-L 		staphyloferrin B
5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoate

CHEBI:134612
chebi:134612
SIAZVTIHOHTZDD-PWJLMRLQSA-N 		staphyloferrin B
5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid

keggC:M_C22075
seedM:M_cpd23485 		secondary/obsolete/fantasy identifier