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CHEBI:221434 - Griselimycin

ChEBI IDCHEBI:221434
ChEBI NameGriselimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H96N10O12
Net Charge0
Average Mass1113.453
Monoisotopic Mass1112.72092
SMILESCC(=O)N(C)[C@H](C(=O)N1C[C@H](C)C[C@H]1C(=O)N(C)[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H](C)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)NCC(=O)OC1C)C(C)C
InChIInChI=1S/C57H96N10O12/c1-30(2)22-39-52(73)63(17)47(34(9)10)56(77)65-21-19-20-41(65)54(75)62(16)42(24-32(5)6)49(70)58-27-45(69)79-37(13)48(51(72)60-40(23-31(3)4)53(74)66-28-35(11)25-43(66)50(71)59-39)64(18)55(76)44-26-36(12)29-67(44)57(78)46(33(7)8)61(15)38(14)68/h30-37,39-44,46-48H,19-29H2,1-18H3,(H,58,70)(H,59,71)(H,60,72)/t35-,36-,37?,39+,40+,41+,42+,43+,44+,46+,47+,48+/m1/s1
InChIKeyJSNIAKPKPNJUEP-UHUGAYFASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (5568643)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Griselimycin (CHEBI:221434) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,4R)-1-[(2S)-2-[acetyl(methyl)amino]-3-methylbutanoyl]-N,4-dimethyl-N-[(3S,6S,9S,11R,15S,18S,25S,28S)-4,11,19,26-tetramethyl-6,15,25-tris(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide