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CHEBI:221556 - Lentinulin A

ChEBI IDCHEBI:221556
ChEBI NameLentinulin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H111N13O12
Net Charge0
Average Mass1290.704
Monoisotopic Mass1289.84752
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@@H](C)CC)N(C)C(=O)[C@H](Cc2cnc3ccccc23)NC(=O)CN(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O
InChIInChI=1S/C67H111N13O12/c1-25-42(15)52-63(88)78(22)57(41(13)14)67(92)79(23)55(39(9)10)65(90)74(18)35-50(83)75(19)56(40(11)12)66(91)76(20)53(37(5)6)59(84)69-33-48(81)71-51(36(3)4)62(87)77(21)54(38(7)8)64(89)73(17)34-49(82)70-47(31-44-32-68-46-30-28-27-29-45(44)46)61(86)80(24)58(43(16)26-2)60(85)72-52/h27-30,32,36-43,47,51-58,68H,25-26,31,33-35H2,1-24H3,(H,69,84)(H,70,82)(H,71,81)(H,72,85)/t42-,43-,47-,51+,52-,53-,54-,55-,56-,57+,58+/m0/s1
InChIKeyBSACDJBYKAOUPT-ORCNXFCXSA-N
Species of MetaboliteComponentSourceComments
Lentinula edodes (ncbitaxon:5353) - PubMed (33574430)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lentinulin A (CHEBI:221556) is a oligopeptide (CHEBI:25676)