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CHEBI:221763 - Anacyclamide A7

ChEBI IDCHEBI:221763
ChEBI NameAnacyclamide A7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H65N13O10
Net Charge0
Average Mass948.096
Monoisotopic Mass947.49774
SMILESCC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C45H65N13O10/c1-25(2)36-42(67)56-33(24-27-14-16-28(59)17-15-27)43(68)58-22-8-13-34(58)41(66)54-30(12-7-21-51-45(48)49)37(62)53-31(18-19-35(60)61)39(64)52-29(11-6-20-50-44(46)47)38(63)55-32(40(65)57-36)23-26-9-4-3-5-10-26/h3-5,9-10,14-17,25,29-34,36,59H,6-8,11-13,18-24H2,1-2H3,(H,52,64)(H,53,62)(H,54,66)(H,55,63)(H,56,67)(H,57,65)(H,60,61)(H4,46,47,50)(H4,48,49,51)/t29-,30-,31-,32-,33-,34-,36-/m0/s1
InChIKeyFOHPTXTVCQDQBY-FKNKHIKMSA-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 A7 (CHEBI:221763) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3S,6S,9S,12S,15S,18S,21S)-9-benzyl-12,18-bis[3-(diaminomethylideneamino)propyl]-3-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,17,20-heptaoxo-6-propan-2-yl-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-15-yl]propanoic acid
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