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CHEBI:217238 - Marinobactin-D2

ChEBI IDCHEBI:217238
ChEBI NameMarinobactin-D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H75N9O16
Net Charge0
Average Mass986.131
Monoisotopic Mass985.53318
SMILESCCCCCCCC/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/C44H75N9O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-35(58)51-36-37(59)43(65)45-23-22-31(47-42(36)64)39(61)50-33(26-54)40(62)46-30(19-17-24-52(68)28(2)56)38(60)49-34(27-55)41(63)48-32(44(66)67)20-18-25-53(69)29(3)57/h11-12,30-34,36-37,54-55,59,68-69H,4-10,13-27H2,1-3H3,(H,45,65)(H,46,62)(H,47,64)(H,48,63)(H,49,60)(H,50,61)(H,51,58)(H,66,67)/b12-11-
InChIKeyBERJGEGDLKQPJD-QXMHVHEDSA-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-D2 (CHEBI:217238) is a oligopeptide (CHEBI:25676)
IUPAC Name 
5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[2-[[8-[[(Z)-hexadec-7-enoyl]amino]-7-hydroxy-6,9-dioxo-1,5-diazonane-2-carbonyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Manual XrefsDatabases
78444982ChemSpider