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CHEBI:202382 - Aquachelin B

ChEBI IDCHEBI:202382
ChEBI NameAquachelin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H76N10O20
Net Charge0
Average Mass1065.142
Monoisotopic Mass1064.52373
SMILESCCCCCCCCCCCC(=O)NC(C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CO)C(=O)NC(CCCN(O)C(C)=O)C(=O)O)C(O)C(=O)O
InChIInChI=1S/C44H76N10O20/c1-4-5-6-7-8-9-10-11-12-17-34(61)52-35(36(62)44(71)72)42(68)51-32(24-57)41(67)50-30(22-55)39(65)47-28(18-19-33(45)60)38(64)46-27(15-13-20-53(73)25(2)58)37(63)49-31(23-56)40(66)48-29(43(69)70)16-14-21-54(74)26(3)59/h27-32,35-36,55-57,62,73-74H,4-24H2,1-3H3,(H2,45,60)(H,46,64)(H,47,65)(H,48,66)(H,49,63)(H,50,67)(H,51,68)(H,52,61)(H,69,70)(H,71,72)
InChIKeyWOJFGQUZCNCVME-UHFFFAOYSA-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)
Aquachelin B (CHEBI:202382) is a oligopeptide (CHEBI:25676)
IUPAC Name 
5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[5-amino-2-[[2-[[2-[[3-carboxy-2-(dodecanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid
Manual XrefsDatabases
78444975ChemSpider