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CHEBI:177791 - Cyanoginosin

ChEBI IDCHEBI:177791
ChEBI NameCyanoginosin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H74N10O12
Net Charge0
Average Mass995.189
Monoisotopic Mass994.54877
SMILESC=C1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@@H](O)Cc2ccccc2)[C@H](C)C(=O)N(C)[C@@H](C(=O)O)CCC(=O)N1C
InChIInChI=1S/C49H74N10O12/c1-26(2)23-36-45(66)57-40(48(70)71)30(6)41(62)55-35(17-14-22-52-49(50)51)44(65)54-34(19-18-27(3)24-28(4)38(60)25-33-15-12-11-13-16-33)29(5)46(67)59(10)37(47(68)69)20-21-39(61)58(9)32(8)43(64)53-31(7)42(63)56-36/h11-13,15-16,18-19,24,26,28-31,34-38,40,60H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,68,69)(H,70,71)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31-,34-,35-,36-,37+,38-,40+/m0/s1
InChIKeySRUWWOSWHXIIIA-UKPGNTDSSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyanoginosin (CHEBI:177791) is a peptide (CHEBI:16670)
IUPAC Name 
(5S,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19,21-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Manual XrefsDatabases
57643582ChemSpider
Registry NumbersSources
CAS:77238-39-2ChemIDplus