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CHEBI:222983 - Mycoplanecin A

ChEBI IDCHEBI:222983
ChEBI NameMycoplanecin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H102N10O13
Net Charge0
Average Mass1183.544
Monoisotopic Mass1182.76278
SMILESCCC(=O)C(=O)N(C)[C@H](C(=O)N1C[C@@H](CC)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](CCC(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)O[C@@H]1C)C(C)C
InChIInChI=1S/C61H102N10O13/c1-19-40-29-46(71(32-40)61(83)50(37(11)12)67(17)59(81)47(72)20-2)58(80)68(18)51-39(14)84-48(73)30-62-52(74)44(27-35(7)8)65(15)57(79)43-22-21-25-69(43)60(82)49(36(9)10)66(16)55(77)41(24-23-33(3)4)63-53(75)45-28-38(13)31-70(45)56(78)42(26-34(5)6)64-54(51)76/h33-46,49-51H,19-32H2,1-18H3,(H,62,74)(H,63,75)(H,64,76)/t38-,39-,40+,41+,42-,43+,44+,45-,46+,49+,50+,51+/m1/s1
InChIKeyICFLLAYTOVAMGO-ORZQNBSVSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes (ncbitaxon:1865) - PubMed (6630066)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mycoplanecin A (CHEBI:222983) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,4S)-4-ethyl-N-methyl-1-[(2S)-3-methyl-2-[methyl(2-oxobutanoyl)amino]butanoyl]-N-[(3S,6S,9R,11R,15R,18S,19R,25S,28S)-4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(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
Manual XrefsDatabases
78443051ChemSpider