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CHEBI:221385 - Heinamide B2

ChEBI IDCHEBI:221385
ChEBI NameHeinamide B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H116N14O21
Net Charge0
Average Mass1489.775
Monoisotopic Mass1488.84395
SMILESCCCC(O)C[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/C70H116N14O21/c1-14-18-43(88)31-41-32-51(91)78-53(37(10)15-2)63(97)82-56(58(92)36(8)9)66(100)74-44(26-28-105-70(72)104)59(93)76-46(29-34(4)5)60(94)75-45(24-25-50(71)90)68(102)83(13)57(38(11)16-3)67(101)81-55(49(89)33-85)65(99)79-52(35(6)7)69(103)84-27-17-19-48(84)62(96)77-47(30-40-20-22-42(87)23-21-40)61(95)80-54(39(12)86)64(98)73-41/h20-23,34-39,41,43-49,52-58,85-89,92H,14-19,24-33H2,1-13H3,(H2,71,90)(H2,72,104)(H,73,98)(H,74,100)(H,75,94)(H,76,93)(H,77,96)(H,78,91)(H,79,99)(H,80,95)(H,81,101)(H,82,97)/t37-,38+,39-,41-,43?,44+,45+,46-,47-,48+,49?,52-,53+,54+,55-,56-,57+,58?/m1/s1
InChIKeyHOHFUOUUBIGTHJ-DCCNVSEVSA-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 B2 (CHEBI:221385) is a polypeptide (CHEBI:15841)