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CHEBI:221779 - Anacyclamide B10

ChEBI IDCHEBI:221779
ChEBI NameAnacyclamide B10
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H71N11O13
Net Charge0
Average Mass1010.160
Monoisotopic Mass1009.52328
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc2cnc3ccccc23)NC1=O
InChIInChI=1S/C48H71N11O13/c1-7-26(6)39-46(70)52-30(18-27-19-49-29-13-9-8-12-28(27)29)40(64)50-20-36(63)51-33(23-62)47(71)58-16-10-15-35(58)44(68)56-38(25(4)5)48(72)59-17-11-14-34(59)43(67)54-31(21-60)41(65)53-32(22-61)42(66)55-37(24(2)3)45(69)57-39/h8-9,12-13,19,24-26,30-35,37-39,49,60-62H,7,10-11,14-18,20-23H2,1-6H3,(H,50,64)(H,51,63)(H,52,70)(H,53,65)(H,54,67)(H,55,66)(H,56,68)(H,57,69)/t26-,30-,31-,32-,33-,34-,35-,37-,38-,39-/m0/s1
InChIKeyMCCUWDDIGYHSMP-JQDZCNFNSA-N
Species of MetaboliteComponentSourceComments
Anabaenaspecies 90 (ncbitaxon:46234) - PubMed (20008171)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anacyclamide B10 (CHEBI:221779) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6S,12S,18S,21S,24S,27S,30S,33S)-21-[(2S)-butan-2-yl]-12,27,30-tris(hydroxymethyl)-18-(1H-indol-3-ylmethyl)-3,24-di(propan-2-yl)-1,4,10,13,16,19,22,25,28,31-decazatricyclo[31.3.0.06,10]hexatriacontane-2,5,11,14,17,20,23,26,29,32-decone
Manual XrefsDatabases
64849019ChemSpider