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CHEBI:221357 - Glomerella cingulata peptide

ChEBI IDCHEBI:221357
ChEBI NameGlomerella cingulata peptide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H80N14O16
Net Charge0
Average Mass1301.426
Monoisotopic Mass1300.58767
SMILESCC(C)CC(NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1cncn1)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C64H80N14O16/c1-36(2)24-44(57(86)76-50(64(93)94)28-38-12-7-4-8-13-38)72-60(89)48(30-53(66)82)71-55(84)33-68-56(85)47(29-41-32-67-35-69-41)74-62(91)52-14-9-23-78(52)63(92)49(27-40-17-21-43(81)22-18-40)75-61(90)51(34-79)77-59(88)46(25-37-10-5-3-6-11-37)73-58(87)45(70-54(83)31-65)26-39-15-19-42(80)20-16-39/h3-8,10-13,15-22,32,35-36,44-52,79-81H,9,14,23-31,33-34,65H2,1-2H3,(H2,66,82)(H,67,69)(H,68,85)(H,70,83)(H,71,84)(H,72,89)(H,73,87)(H,74,91)(H,75,90)(H,76,86)(H,77,88)(H,93,94)
InChIKeyJSEWQMOGZUHFOF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum gloeosporioides (ncbitaxon:474922) - DOI (10.1016/s0378-1097(02)00509-8)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Glomerella cingulata peptide (CHEBI:221357) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[[2-[[4-amino-2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Manual XrefsDatabases
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