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CHEBI:221736 - Anacyclamide A11

ChEBI IDCHEBI:221736
ChEBI NameAnacyclamide A11
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H84N14O16
Net Charge0
Average Mass1281.436
Monoisotopic Mass1280.61897
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)CNC1=O
InChIInChI=1S/C62H84N14O16/c1-7-32(5)52-61(91)67-30-49(79)74-53(33(6)8-2)62(92)76-21-13-18-46(76)60(90)73-45(26-51(82)83)58(88)72-44(25-47(63)77)57(87)71-42(23-34-27-64-38-16-11-9-14-36(34)38)56(86)69-41(22-31(3)4)54(84)66-29-48(78)68-40(19-20-50(80)81)55(85)70-43(59(89)75-52)24-35-28-65-39-17-12-10-15-37(35)39/h9-12,14-17,27-28,31-33,40-46,52-53,64-65H,7-8,13,18-26,29-30H2,1-6H3,(H2,63,77)(H,66,84)(H,67,91)(H,68,78)(H,69,86)(H,70,85)(H,71,87)(H,72,88)(H,73,90)(H,74,79)(H,75,89)(H,80,81)(H,82,83)/t32-,33-,40-,41-,42-,43-,44-,45+,46-,52-,53-/m0/s1
InChIKeyWOTYFQQVCLMODP-QJHFTDIGSA-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 A11 (CHEBI:221736) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(3S,9S,12S,15S,21S,24S,27S,30R,33S)-27-(2-amino-2-oxoethyl)-3,9-bis[(2S)-butan-2-yl]-30-(carboxymethyl)-12,24-bis(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-15-yl]propanoic acid