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CHEBI:221819 - Anacyclamide E10

ChEBI IDCHEBI:221819
ChEBI NameAnacyclamide E10
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H74N12O13
Net Charge0
Average Mass1087.246
Monoisotopic Mass1086.54983
SMILESCC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIInChI=1S/C53H74N12O13/c1-28(2)23-35-48(73)58-34(19-20-41(54)67)46(71)60-38(26-42(55)68)49(74)59-36(24-31-11-7-6-8-12-31)45(70)56-27-43(69)63-44(29(3)4)53(78)65-22-10-14-40(65)51(76)62-37(25-32-15-17-33(66)18-16-32)47(72)57-30(5)52(77)64-21-9-13-39(64)50(75)61-35/h6-8,11-12,15-18,28-30,34-40,44,66H,9-10,13-14,19-27H2,1-5H3,(H2,54,67)(H2,55,68)(H,56,70)(H,57,72)(H,58,73)(H,59,74)(H,60,71)(H,61,75)(H,62,76)(H,63,69)/t30-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1
InChIKeyIECYCJGUKYTYQQ-KICVKIPVSA-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 E10 (CHEBI:221819) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3S,6S,9S,15S,21S,24S,27S,30S,33S)-24-(2-amino-2-oxoethyl)-21-benzyl-6-[(4-hydroxyphenyl)methyl]-3-methyl-30-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32-decaoxo-15-propan-2-yl-1,4,7,13,16,19,22,25,28,31-decazatricyclo[31.3.0.09,13]hexatriacontan-27-yl]propanamide