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CHEBI:212928 - Calophycin

ChEBI IDCHEBI:212928
ChEBI NameCalophycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H96N16O16
Net Charge0
Average Mass1249.480
Monoisotopic Mass1248.71902
SMILESCCCCCCCCCCCC[C@H](C)[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(N)=O)N(C)C(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1O
InChIInChI=1S/C56H96N16O16/c1-7-8-9-10-11-12-13-14-15-16-19-31(4)45-46(79)53(86)69-44(30(2)3)52(85)64-32(5)47(80)67-36(27-43(77)78)50(83)68-35(26-40(58)74)49(82)66-33(22-23-39(57)73)48(81)63-29-42(76)65-34(20-17-24-62-56(60)61)54(87)71(6)38(28-41(59)75)55(88)72-25-18-21-37(72)51(84)70-45/h30-38,44-46,79H,7-29H2,1-6H3,(H2,57,73)(H2,58,74)(H2,59,75)(H,63,81)(H,64,85)(H,65,76)(H,66,82)(H,67,80)(H,68,83)(H,69,86)(H,70,84)(H,77,78)(H4,60,61,62)/t31-,32+,33+,34+,35+,36+,37-,38+,44-,45+,46+/m0/s1
InChIKeyUAZZFDUYHPLRJY-IXSJMJCZSA-N
Species of MetaboliteComponentSourceComments
Calothrix fusca (ncbitaxon:1565293) - DOI (10.1021/jo00030a013)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Calophycin (CHEBI:212928) is a peptide (CHEBI:16670)
IUPAC Name 
2-[(3R,6R,12R,15R,18R,21R,24S,27R,28R,31S)-3,15-bis(2-amino-2-oxoethyl)-12-(3-amino-3-oxopropyl)-6-[3-(diaminomethylideneamino)propyl]-27-hydroxy-4,21-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-28-[(2S)-tetradecan-2-yl]-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-18-yl]acetic acid