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CHEBI:221560 - Dendrothelin A

ChEBI IDCHEBI:221560
ChEBI NameDendrothelin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC67H111N13O13
Net Charge0
Average Mass1306.703
Monoisotopic Mass1305.84243
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2cnc3ccccc23)NC(=O)CN(C)C(=O)[C@H]([C@@H](C)CC)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@@H](C)CC)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@@H](C(C)C)N(C)C1=O
InChIInChI=1S/C67H111N13O13/c1-24-40(12)52-63(89)78(21)55(39(10)11)66(92)80(23)58(43(15)81)65(91)74(17)35-50(84)75(18)57(42(14)26-3)67(93)77(20)53(37(6)7)59(85)69-33-48(82)71-51(36(4)5)62(88)79(22)56(41(13)25-2)64(90)73(16)34-49(83)70-47(31-44-32-68-46-30-28-27-29-45(44)46)61(87)76(19)54(38(8)9)60(86)72-52/h27-30,32,36-43,47,51-58,68,81H,24-26,31,33-35H2,1-23H3,(H,69,85)(H,70,83)(H,71,82)(H,72,86)/t40-,41-,42-,43+,47-,51+,52-,53-,54-,55+,56-,57-,58-/m0/s1
InChIKeyICHIUSBXAKDGBC-JBASMKAESA-N
Species of MetaboliteComponentSourceComments
Dendrothele bispora (ncbitaxon:1314803) - 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)
Dendrothelin A (CHEBI:221560) is a oligopeptide (CHEBI:25676)