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CHEBI:210482 - Marinobactin-D1

ChEBI IDCHEBI:210482
ChEBI NameMarinobactin-D1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H75N9O16
Net Charge0
Average Mass986.131
Monoisotopic Mass985.53318
SMILESCCCCCC/C=C\CCCCCCCC(=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/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/h9-10,30-34,36-37,54-55,59,68-69H,4-8,11-27H2,1-3H3,(H,45,65)(H,46,62)(H,47,64)(H,48,63)(H,49,60)(H,50,61)(H,51,58)(H,66,67)/b10-9-/t30-,31+,32+,33-,34+,36-,37-/m1/s1
InChIKeyOCPXGGLXMCBXGP-OKIGRURVSA-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-D1 (CHEBI:210482) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-5-[acetyl(hydroxy)amino]-2-[[(2S)-2-[[(2R)-5-[acetyl(hydroxy)amino]-2-[[(2R)-2-[[(2S,7R,8R)-8-[[(Z)-hexadec-9-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
78443568ChemSpider