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CHEBI:208713 - Lyngbyastatin 6

ChEBI IDCHEBI:208713
ChEBI NameLyngbyastatin 6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H70N8O18S
Net Charge0
Average Mass1151.259
Monoisotopic Mass1150.45288
SMILESC/C=C1\NC(=O)[C@@H](NC(=O)[C@H](CCc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2OC)NC1=O
InChIInChI=1S/C54H70N8O18S/c1-8-37-47(67)58-39-24-25-43(78-7)62(52(39)72)41(27-33-12-10-9-11-13-33)53(73)61(6)40(26-34-16-21-36(64)22-17-34)49(69)59-44(29(2)3)54(74)80-31(5)45(51(71)56-37)60-48(68)38(23-18-32-14-19-35(63)20-15-32)57-46(66)30(4)55-50(70)42(65)28-79-81(75,76)77/h8-17,19-22,29-31,38-45,63-65H,18,23-28H2,1-7H3,(H,55,70)(H,56,71)(H,57,66)(H,58,67)(H,59,69)(H,60,68)(H,75,76,77)/b37-8-/t30-,31+,38-,39-,40-,41-,42+,43+,44-,45-/m0/s1
InChIKeyMSJHPEKZCVVYTI-VIXCIGPQSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (17910513)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lyngbyastatin 6 (CHEBI:208713) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[(2R)-3-[[(2S)-1-[[(2S)-1-[[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-5-[(4-hydroxyphenyl)methyl]-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-hydroxy-3-oxopropyl] hydrogen sulate
Manual XrefsDatabases
25064738ChemSpider