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CHEBI:212669 - Acinetoferrin

ChEBI IDCHEBI:212669
ChEBI NameAcinetoferrin
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SubmitterMetaboLights
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FormulaC28H48N4O9
Net Charge0
Average Mass584.711
Monoisotopic Mass584.34213
SMILESCCCCC/C=C/C(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(=O)/C=C/CCCCC)C(=O)O
InChIInChI=1S/C28H48N4O9/c1-3-5-7-9-11-15-25(35)31(40)19-13-17-29-23(33)21-28(39,27(37)38)22-24(34)30-18-14-20-32(41)26(36)16-12-10-8-6-4-2/h11-12,15-16,39-41H,3-10,13-14,17-22H2,1-2H3,(H,29,33)(H,30,34)(H,37,38)/b15-11+,16-12+
InChIKeyZYPXWYPUWAXTQR-JOBJLJCHSA-N
Species of MetaboliteComponentSourceComments
Acinetobacter haemolyticus (ncbitaxon:29430) - PubMed (8148619)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Acinetoferrin (CHEBI:212669) is a hydroxy fatty acid (CHEBI:24654)
IUPAC Name 
2-hydroxy-4-[3-[hydroxy-[(E)-oct-2-enoyl]amino]propylamino]-2-[2-[3-[hydroxy-[(E)-oct-2-enoyl]amino]propylamino]-2-oxoethyl]-4-oxobutanoic acid
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