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CHEBI:217300 - Arylomycin A3

ChEBI IDCHEBI:217300
ChEBI NameArylomycin A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H60N6O11
Net Charge0
Average Mass824.973
Monoisotopic Mass824.43201
SMILESCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)C1C(=O)N[C@@H](C)C(=O)NC(C(=O)O)Cc2ccc(O)c(c2)-c2cc1ccc2O
InChIInChI=1S/C42H60N6O11/c1-6-7-8-9-10-11-12-13-14-15-35(52)47(4)32(24-49)40(56)44-25(2)38(54)43-23-36(53)48(5)37-28-17-19-34(51)30(22-28)29-20-27(16-18-33(29)50)21-31(42(58)59)46-39(55)26(3)45-41(37)57/h16-20,22,25-26,31-32,37,49-51H,6-15,21,23-24H2,1-5H3,(H,43,54)(H,44,56)(H,45,57)(H,46,55)(H,58,59)/t25-,26+,31?,32-,37?/m1/s1
InChIKeyQAHUKEDKLUUKAN-GYPJZMARSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies Tue 6075 (ncbitaxon:1661694) - PubMed (12195962)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Arylomycin A3 (CHEBI:217300) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(11S)-14-[[2-[[(2R)-2-[[(2R)-2-[dodecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]-methylamino]-3,18-dihydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
Manual XrefsDatabases
9139119ChemSpider