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CHEBI:205139 - K-582-B

ChEBI IDCHEBI:205139
ChEBI NameK-582-B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H80N18O12
Net Charge0
Average Mass1053.238
Monoisotopic Mass1052.62031
SMILESCC(O)C(NC(=O)C(CCCN)NC(=O)C(CC(O)CCN=C(N)N)NC(=O)C(N)CCCCN=C(N)N)C(=O)NC(CCCN)C(=O)NC(CC(O)CCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C44H80N18O12/c1-23(63)34(62-37(69)30(8-5-16-46)57-38(70)31(21-26(65)13-18-55-43(50)51)59-35(67)28(47)6-2-3-17-54-42(48)49)40(72)58-29(7-4-15-45)36(68)60-32(22-27(66)14-19-56-44(52)53)39(71)61-33(41(73)74)20-24-9-11-25(64)12-10-24/h9-12,23,26-34,63-66H,2-8,13-22,45-47H2,1H3,(H,57,70)(H,58,72)(H,59,67)(H,60,68)(H,61,71)(H,62,69)(H,73,74)(H4,48,49,54)(H4,50,51,55)(H4,52,53,56)
InChIKeyAYWBYBFSAYZHAE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Metarhizium (ncbitaxon:5529) - PubMed (7419467)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
K-582-B (CHEBI:205139) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[2-[[5-amino-2-[[2-[[5-amino-2-[[2-[[2-amino-6-(diaminomethylideneamino)hexanoyl]amino]-6-(diaminomethylideneamino)-4-hydroxyhexanoyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]amino]-6-(diaminomethylideneamino)-4-hydroxyhexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Manual XrefsDatabases
78444100ChemSpider