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CHEBI:209219 - WS1279

ChEBI IDCHEBI:209219
ChEBI NameWS1279
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H129N7O13S
Net Charge0
Average Mass1308.905
Monoisotopic Mass1307.93691
SMILESCCCCCCCCCCCCCCCC(=O)CCC(CSCC(NC(=O)CCCCCCCCCCCCCCC)C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)O)CC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C70H129N7O13S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-57(80)47-46-56(48-58(81)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-91-55-62(75-64(83)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)69(88)76-59(49-63(71)82)68(87)77-60(52-78)67(86)73-50-65(84)72-51-66(85)74-61(53-79)70(89)90/h56,59-62,78-79H,4-55H2,1-3H3,(H2,71,82)(H,72,84)(H,73,86)(H,74,85)(H,75,83)(H,76,88)(H,77,87)(H,89,90)
InChIKeyGXPSOMLVJGVBBF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8270492)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
WS1279 (CHEBI:209219) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[[2-[[4-amino-2-[[2-(hexadecanoylamino)-3-[5-oxo-2-(2-oxoheptadecyl)icosyl]sulanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoic acid
Manual XrefsDatabases
78444139ChemSpider