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CHEBI:221831 - Anacyclamide F10P

ChEBI IDCHEBI:221831
ChEBI NameAnacyclamide F10P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H70N12O17
Net Charge0
Average Mass1123.188
Monoisotopic Mass1122.49819
SMILESNCCCC[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C51H70N12O17/c52-17-5-4-10-30-50(79)62-18-6-12-39(62)49(78)60-36(25-65)47(76)57-34(23-41(69)70)45(74)55-31(20-27-8-2-1-3-9-27)43(72)61-37(26-66)51(80)63-19-7-11-38(63)48(77)58-32(21-28-13-15-29(67)16-14-28)42(71)59-35(24-64)46(75)56-33(22-40(53)68)44(73)54-30/h1-3,8-9,13-16,30-39,64-67H,4-7,10-12,17-26,52H2,(H2,53,68)(H,54,73)(H,55,74)(H,56,75)(H,57,76)(H,58,77)(H,59,71)(H,60,78)(H,61,72)(H,69,70)/t30-,31-,32+,33-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKeyCEXDHZFNPZDBOF-DWWUOENTSA-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 F10P (CHEBI:221831) is a peptide (CHEBI:16670)
IUPAC Name 
2-[(3S,6S,9S,12S,15S,21S,24S,27S,30R,33S)-21-(4-aminobutyl)-24-(2-amino-2-oxoethyl)-6-benzyl-3,12,27-tris(hydroxymethyl)-30-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,20,23,26,29,32-decaoxo-1,4,7,10,13,19,22,25,28,31-decazatricyclo[31.3.0.015,19]hexatriacontan-9-yl]acetic acid