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CHEBI:218725 - Marinobactin F

ChEBI IDCHEBI:218725
ChEBI NameMarinobactin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H81N9O16
Net Charge0
Average Mass1016.201
Monoisotopic Mass1015.58013
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@H]1C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N[C@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)O)CCNC(=O)[C@@H]1O
InChIInChI=1S/C46H81N9O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-37(60)53-38-39(61)45(67)47-25-24-33(49-44(38)66)41(63)52-35(28-56)42(64)48-32(21-19-26-54(70)30(2)58)40(62)51-36(29-57)43(65)50-34(46(68)69)22-20-27-55(71)31(3)59/h32-36,38-39,56-57,61,70-71H,4-29H2,1-3H3,(H,47,67)(H,48,64)(H,49,66)(H,50,65)(H,51,62)(H,52,63)(H,53,60)(H,68,69)/t32-,33+,34+,35-,36+,38-,39-/m1/s1
InChIKeyKCGAMQQBKFMPJW-BSLNCUQWSA-N
Species of MetaboliteComponentSourceComments
Marinobacter (ncbitaxon:2742) - PubMed (17868890)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Marinobactin F (CHEBI:218725) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2R)-5-[acetyl(hydroxy)amino]-2-[[(2R)-3-hydroxy-2-[[(2S,7R,8R)-7-hydroxy-8-(octadecanoylamino)-6,9-dioxo-1,5-diazonane-2-carbonyl]amino]propanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Manual XrefsDatabases
78437609ChemSpider