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CHEBI:216325 - Huascopeptin

ChEBI IDCHEBI:216325
ChEBI NameHuascopeptin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H87N17O19
Net Charge0
Average Mass1410.511
Monoisotopic Mass1409.63641
SMILESCC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CC(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc3ccccc23)C(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C65H87N17O19/c1-33(2)21-42(61(96)81-48(65(100)101)23-35-11-5-4-6-12-35)74-54(89)30-72-58(93)45(25-50(67)85)79-59(94)41(15-9-10-20-66)77-64(99)49(32-83)82-63(98)47-27-52(87)70-29-53(88)75-43(22-36-16-18-38(84)19-17-36)57(92)71-31-55(90)76-46(26-51(68)86)60(95)73-34(3)56(91)78-44(62(97)80-47)24-37-28-69-40-14-8-7-13-39(37)40/h4-8,11-14,16-19,28,33-34,41-49,69,83-84H,9-10,15,20-27,29-32,66H2,1-3H3,(H2,67,85)(H2,68,86)(H,70,87)(H,71,92)(H,72,93)(H,73,95)(H,74,89)(H,75,88)(H,76,90)(H,77,99)(H,78,91)(H,79,94)(H,80,97)(H,81,96)(H,82,98)(H,100,101)/t34-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
InChIKeyLXYAQYDBAYTWEV-WLLWKZKDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces huasconensis (ncbitaxon:1854574) - PubMed (31931565)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Huascopeptin (CHEBI:216325) is a polypeptide (CHEBI:15841)
IUPAC Name 
(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(5S,11S,14S,17S,20S)-11-(2-amino-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-17-(1H-indol-3-ylmethyl)-14-methyl-3,6,9,12,15,18,22-heptaoxo-1,4,7,10,13,16,19-heptazacyclodocosane-20-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid