CHEBI:222983 - Mycoplanecin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Mycoplanecin A
ChEBI ID CHEBI:222983
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H102N10O13
Net Charge 0
Average Mass 1183.544
Monoisotopic Mass 1182.76278
InChI InChI=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
InChIKey ICFLLAYTOVAMGO-ORZQNBSVSA-N
SMILES O=C1N([C@H](C(=O)N2[C@H](C(=O)N([C@H](C(=O)NCC(=O)O[C@@H]([C@@H](C(N[C@@H](C(N3[C@@H](C(N[C@H]1CCC(C)C)=O)C[C@@H](C)C3)=O)CC(C)C)=O)N(C(=O)[C@H]4N(C(=O)[C@@H](N(C(=O)C(=O)CC)C)C(C)C)C[C@H](C4)CC)C)C)CC(C)C)C)CCC2)C(C)C)C
Metabolite of Species Details
Actinoplanes (NCBI:txid1865) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
78443051 ChemSpider
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