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CHEBI:217920 - Mollemycin A

ChEBI IDCHEBI:217920
ChEBI NameMollemycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H96N8O24
Net Charge0
Average Mass1301.449
Monoisotopic Mass1300.65375
SMILESCCC1OC(O)(C(C)(O)C(=O)N[C@@H]2C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](COC)C(=O)N3NCC(O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)=CC3C(=O)N3CC[C@@](C)(O)[C@H]3C(=O)N(O)[C@@H](CC)C(=O)O[C@H]2C(C)C)CCC1C(=O)C(C)(O)CC
InChIInChI=1S/C59H96N8O24/c1-14-34-54(75)90-45(29(4)5)43(62-55(76)58(10,79)59(80)20-19-33(38(15-2)91-59)48(69)56(8,77)16-3)52(73)64-35(18-17-22-60-64)51(72)67(82)37(28-83-11)50(71)65-36(49(70)63-23-21-57(9,78)47(63)53(74)66(34)81)24-32(27-61-65)88-41-26-40(85-13)46(31(7)87-41)89-42-25-39(84-12)44(68)30(6)86-42/h24,29-31,33-47,60-61,68,77-82H,14-23,25-28H2,1-13H3,(H,62,76)/t30-,31-,33?,34-,35+,36?,37-,38?,39-,40-,41-,42-,43-,44+,45-,46+,47+,56?,57+,58?,59?/m0/s1
InChIKeyRJMAMONPIIYLDD-XUEXKZAKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24611932)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mollemycin A (CHEBI:217920) is a cyclodepsipeptide (CHEBI:35213)
Mollemycin A (CHEBI:217920) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[6-ethyl-2-hydroxy-5-(2-hydroxy-2-methylbutanoyl)oxan-2-yl]-N-[(6R,7S,10S,13S,14S,21R,24S)-10-ethyl-6,9,23-trihydroxy-29-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-24-(methoxymethyl)-6-methyl-2,8,11,15,22,25-hexaoxo-13-propan-2-yl-12-oxa-3,9,16,17,23,26,27-heptazatetracyclo[24.4.0.03,7.016,21]triacont-29-en-14-yl]-2-hydroxypropanamide
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