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CHEBI:206421 - Gymnopeptide B

ChEBI IDCHEBI:206421
ChEBI NameGymnopeptide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC85H152N18O19
Net Charge0
Average Mass1730.258
Monoisotopic Mass1729.14811
SMILESCC(C)[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)O)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C1=O
InChIInChI=1S/C85H152N18O19/c1-40(2)58-80(117)94(28)38-56(105)86-51(23)77(114)98(32)63(44(9)10)71(108)87-52(24)79(116)100(34)66(47(15)16)76(113)93-62(55(27)104)84(121)103(37)68(49(19)20)75(112)92-61(43(7)8)83(120)102(36)67(48(17)18)74(111)91-60(42(5)6)82(119)101(35)64(45(11)12)72(109)88-53(25)78(115)99(33)65(46(13)14)73(110)90-59(41(3)4)81(118)95(29)39-57(106)97(31)69(50(21)22)85(122)96(30)54(26)70(107)89-58/h40-55,58-69,104H,38-39H2,1-37H3,(H,86,105)(H,87,108)(H,88,109)(H,89,107)(H,90,110)(H,91,111)(H,92,112)(H,93,113)/t51-,52-,53-,54-,55?,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
InChIKeyHMASTEQXASMBFL-ZSIGTSDJSA-N
Species of MetaboliteComponentSourceComments
Gymnopus fusipes (ncbitaxon:93828) - PubMed (27194202)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gymnopeptide B (CHEBI:206421) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S,51S,54S)-33-(1-hydroxyethyl)-1,4,7,13,15,19,25,31,37,39,43,45,49,54-tetradecamethyl-3,9,12,18,21,24,27,30,36,42,51-undeca(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-octadecazacyclotetrapentacontane-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-octadecone
Manual XrefsDatabases
78442754ChemSpider