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CHEBI:221801 - Anacyclamide C10

ChEBI IDCHEBI:221801
ChEBI NameAnacyclamide C10
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H70N14O14
Net Charge0
Average Mass1115.216
Monoisotopic Mass1114.51959
SMILESCC(C)[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C52H70N14O14/c1-26(2)43-52(80)66-19-9-14-38(66)51(79)64-37(25-67)50(78)58-27(3)44(72)59-32(15-17-39(53)68)46(74)62-35(21-29-23-56-31-13-8-7-12-30(29)31)48(76)60-33(16-18-40(54)69)47(75)63-36(22-41(55)70)49(77)61-34(20-28-10-5-4-6-11-28)45(73)57-24-42(71)65-43/h4-8,10-13,23,26-27,32-38,43,56,67H,9,14-22,24-25H2,1-3H3,(H2,53,68)(H2,54,69)(H2,55,70)(H,57,73)(H,58,78)(H,59,72)(H,60,76)(H,61,77)(H,62,74)(H,63,75)(H,64,79)(H,65,71)/t27-,32-,33-,34-,35-,36-,37-,38-,43-/m0/s1
InChIKeyCOQVACBVGPOPNC-PNZSFUNOSA-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 C10 (CHEBI:221801) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3S,9S,12S,15S,18S,21S,24S,27S,30S)-12-(2-amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-9-benzyl-27-(hydroxymethyl)-18-(1H-indol-3-ylmethyl)-24-methyl-2,5,8,11,14,17,20,23,26,29-decaoxo-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-21-yl]propanamide
Manual XrefsDatabases
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