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M  END
> <ID>
CHEBI:134612

> <NAME>
staphyloferrin B

> <DEFINITION>
A siderophore composed from L-2,3-diaminopropionic acid, citric acid, 1,2-diaminoethane and α-ketoglutaric acid units.

> <STAR>
3

> <IUPAC_NAME>
5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid

> <FORMULA>
C16H24N4O11

> <MASS>
448.383

> <MONOISOTOPIC_MASS>
448.14416

> <CHARGE>
0

> <SMILES>
O=C(NCCNC(CCC(C(O)=O)=O)=O)C[C@](CC(=O)NC[C@@H](C(O)=O)N)(C(O)=O)O

> <INCHI>
InChI=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)/t8-,16-/m0/s1

> <INCHIKEY>
SIAZVTIHOHTZDD-PWJLMRLQSA-N

> <METACYC_ACCESSION>
CPD-12590

> <PUBMED_CENTRAL_CITATION>
PMC4697176

> <PUBMED_CITATION>
15547261; 19775248; 20810662; 21402762; 21906287; 24666349; 26030732; 26534960; 26794841; 8138126; 8400765

$$$$