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CHEBI:199451 - Marinobactin B

ChEBI IDCHEBI:199451
ChEBI NameMarinobactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H71N9O16
Net Charge0
Average Mass958.077
Monoisotopic Mass957.50188
SMILESCCCCCC/C=C\CCCCCC(=O)NC1C(=O)NC(C(=O)NC(CO)C(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CO)C(=O)NC(CCCN(O)C(C)=O)C(=O)O)CCNC(=O)C1O
InChIInChI=1S/C42H71N9O16/c1-4-5-6-7-8-9-10-11-12-13-14-19-33(56)49-34-35(57)41(63)43-21-20-29(45-40(34)62)37(59)48-31(24-52)38(60)44-28(17-15-22-50(66)26(2)54)36(58)47-32(25-53)39(61)46-30(42(64)65)18-16-23-51(67)27(3)55/h9-10,28-32,34-35,52-53,57,66-67H,4-8,11-25H2,1-3H3,(H,43,63)(H,44,60)(H,45,62)(H,46,61)(H,47,58)(H,48,59)(H,49,56)(H,64,65)/b10-9-
InChIKeyOHOCBHDWJUIPDU-KTKRTIGZSA-N
Species of MetaboliteComponentSourceComments
Marinobacterspecies (ncbitaxon:50741) - PubMed (10678827)
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 B (CHEBI:199451) is a oligopeptide (CHEBI:25676)
IUPAC Name 
5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[3-hydroxy-2-[[7-hydroxy-6,9-dioxo-8-[[(Z)-tetradec-7-enoyl]amino]-1,5-diazonane-2-carbonyl]amino]propanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Manual XrefsDatabases
78444971ChemSpider