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CHEBI:221389 - Heinamide B3

ChEBI IDCHEBI:221389
ChEBI NameHeinamide B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H116N14O20
Net Charge0
Average Mass1473.776
Monoisotopic Mass1472.84903
SMILESCCCCC[C@@H]1CC(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@H](C(O)C(C)C)C(=O)N[C@@H](CCOC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N[C@H](C(O)CO)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChIInChI=1S/C70H116N14O20/c1-14-17-18-20-42-33-51(90)78-53(38(10)15-2)63(96)82-56(58(91)37(8)9)66(99)74-44(28-30-104-70(72)103)59(92)76-46(31-35(4)5)60(93)75-45(26-27-50(71)89)68(101)83(13)57(39(11)16-3)67(100)81-55(49(88)34-85)65(98)79-52(36(6)7)69(102)84-29-19-21-48(84)62(95)77-47(32-41-22-24-43(87)25-23-41)61(94)80-54(40(12)86)64(97)73-42/h22-25,35-40,42,44-49,52-58,85-88,91H,14-21,26-34H2,1-13H3,(H2,71,89)(H2,72,103)(H,73,97)(H,74,99)(H,75,93)(H,76,92)(H,77,95)(H,78,90)(H,79,98)(H,80,94)(H,81,100)(H,82,96)/t38-,39+,40-,42-,44+,45+,46-,47-,48+,49?,52-,53+,54+,55-,56-,57+,58?/m1/s1
InChIKeyFVJVQDXDYPLEPN-XOVCTIIRSA-N
Species of MetaboliteComponentSourceComments
Nostocspecies UHCC 0702 (ncbitaxon:2814655) - PubMed (34085692)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Heinamide B3 (CHEBI:221389) is a polypeptide (CHEBI:15841)