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CHEBI:225799 - Achromosin

ChEBI IDCHEBI:225799
ChEBI NameAchromosin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H78N14O20
Net Charge0
Average Mass1291.340
Monoisotopic Mass1290.55168
SMILESCCC(C)C(NC(=O)CNC(=O)CC(N)C(=O)NC(C(=O)NC(C(=O)NC1CC2(OC1=O)C(=O)Nc1ccccc12)C(C)CC)C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC1CC2(OC1=O)C(=O)Nc1ccccc12)C(C)O
InChIInChI=1S/C58H78N14O20/c1-7-25(3)42(69-41(79)22-61-39(77)19-31(59)46(80)71-45(28(6)75)52(86)70-43(26(4)8-2)50(84)65-35-20-57(91-53(35)87)29-13-9-11-15-32(29)67-55(57)89)49(83)62-23-40(78)63-37(24-73)48(82)64-34(17-18-38(60)76)47(81)72-44(27(5)74)51(85)66-36-21-58(92-54(36)88)30-14-10-12-16-33(30)68-56(58)90/h9-16,25-28,31,34-37,42-45,73-75H,7-8,17-24,59H2,1-6H3,(H2,60,76)(H,61,77)(H,62,83)(H,63,78)(H,64,82)(H,65,84)(H,66,85)(H,67,89)(H,68,90)(H,69,79)(H,70,86)(H,71,80)(H,72,81)
InChIKeyUPDWXHZCLUCKNY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces achromogenes subsp. achromogenes (ncbitaxon:67256) - PubMed (27599763)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Achromosin (CHEBI:225799) is a peptide (CHEBI:16670)
IUPAC Name 
2-[[2-[[2-[[2-[[2-[[3-amino-4-[[1-[[1-[(2,2'-dioxospiro[1H-indole-3,5'-oxolane]-3'-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-N-[1-[(2,2'-dioxospiro[1H-indole-3,5'-oxolane]-3'-yl)amino]-3-hydroxy-1-oxobutan-2-yl]pentanediamide
Manual XrefsDatabases
78444460ChemSpider