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CHEBI:225482 - Al(III)-acremonpeptide D

ChEBI IDCHEBI:225482
ChEBI NameAl(III)-acremonpeptide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H63AlN10O12
Net Charge0
Average Mass987.061
Monoisotopic Mass986.44423
SMILESCC(=O)N1CCC[C@@H]2NC(=O)[C@@H]3CCCN(C(C)=O)[O][Al]([O]1)[O]N(C(C)=O)CCC[C@H](NC2=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N3
InChIInChI=1S/C47H63N10O12.Al/c1-28(2)24-39-45(64)53-40(25-32-14-7-6-8-15-32)46(65)51-37(19-12-22-56(68)30(4)59)43(62)49-36(18-11-21-55(67)29(3)58)42(61)50-38(20-13-23-57(69)31(5)60)44(63)54-41(47(66)52-39)26-33-27-48-35-17-10-9-16-34(33)35;/h6-10,14-17,27-28,36-41,48H,11-13,18-26H2,1-5H3,(H,49,62)(H,50,61)(H,51,65)(H,52,66)(H,53,64)(H,54,63);/q-3;+3/t36-,37-,38-,39-,40-,41-;/m0./s1
InChIKeyCKTOPVKNQLRZET-UCTQLVHTSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (31503476)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Al(III)-acremonpeptide D (CHEBI:225482) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(7S,10S,13S,16S,19S,22S)-3,26,29-triacetyl-10-benzyl-16-(1H-indol-3-ylmethyl)-13-(2-methylpropyl)-2,27,28-trioxa-3,8,11,14,17,20,26,29,33-nonaza-1-aluminatricyclo[17.8.5.27,22]tetratriacontane-9,12,15,18,21,34-hexone
Manual XrefsDatabases
81163330ChemSpider