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CHEBI:221826 - Anacyclamide E10P

ChEBI IDCHEBI:221826
ChEBI NameAnacyclamide E10P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H82N12O13
Net Charge0
Average Mass1155.365
Monoisotopic Mass1154.61243
SMILESCC(C)=CCOc1ccc(C[C@@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC2=O)cc1
InChIInChI=1S/C58H82N12O13/c1-32(2)23-26-83-38-19-17-37(18-20-38)29-42-52(76)62-35(7)57(81)69-24-11-15-44(69)55(79)66-40(27-33(3)4)53(77)63-39(21-22-46(59)71)51(75)65-43(30-47(60)72)54(78)64-41(28-36-13-9-8-10-14-36)50(74)61-31-48(73)68-49(34(5)6)58(82)70-25-12-16-45(70)56(80)67-42/h8-10,13-14,17-20,23,33-35,39-45,49H,11-12,15-16,21-22,24-31H2,1-7H3,(H2,59,71)(H2,60,72)(H,61,74)(H,62,76)(H,63,77)(H,64,78)(H,65,75)(H,66,79)(H,67,80)(H,68,73)/t35-,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
InChIKeyCQMWIKXUHZWYQN-NBASOOGUSA-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 E10P (CHEBI:221826) 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-3-methyl-6-[[4-(3-methylbut-2-enoxy)phenyl]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