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CHEBI:227546 - FR901451

ChEBI IDCHEBI:227546
ChEBI NameFR901451
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H79N13O18
Net Charge0
Average Mass1270.365
Monoisotopic Mass1269.56660
SMILESCC(C)CC1NC(=O)C(NC(=O)C(N)C(C)O)C(C)OC(=O)CC2NC(=O)C3COC(=O)CC(NC(=O)C(Cc4cnc5ccccc45)NC2=O)C(=O)NC(C(=O)O)CC(=O)NCCCCC(NC1=O)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)N3
InChIInChI=1S/C60H79N13O18/c1-29(2)21-37-51(79)64-36-17-10-11-19-62-45(75)24-42(60(88)89)70-54(82)39-25-46(76)90-28-43(71-56(84)44-18-12-20-73(44)59(87)41(69-50(36)78)22-32-13-6-5-7-14-32)55(83)67-40(26-47(77)91-31(4)49(58(86)68-37)72-57(85)48(61)30(3)74)53(81)65-38(52(80)66-39)23-33-27-63-35-16-9-8-15-34(33)35/h5-9,13-16,27,29-31,36-44,48-49,63,74H,10-12,17-26,28,61H2,1-4H3,(H,62,75)(H,64,79)(H,65,81)(H,66,80)(H,67,83)(H,68,86)(H,69,78)(H,70,82)(H,71,84)(H,72,85)(H,88,89)
InChIKeyIGCVJULNJMQDMD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Flexibacter (ncbitaxon:992) - PubMed (7844029)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
FR901451 (CHEBI:227546) is a polypeptide (CHEBI:15841)
IUPAC Name 
24-[(2-amino-3-hydroxybutanoyl)amino]-15-benzyl-32-(1H-indol-3-ylmethyl)-25-methyl-21-(2-methylpropyl)-3,8,14,17,20,23,27,30,33,35,39,46-dodecaoxo-4,26-dioxa-7,13,16,19,22,31,34,36,40,45-decazatetracyclo[16.16.10.26,29.09,13]hexatetracontane-37-carboxylic acid
Manual XrefsDatabases
8095716ChemSpider