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CHEBI:221399 - Heinamide B5

ChEBI IDCHEBI:221399
ChEBI NameHeinamide B5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC71H118N14O21
Net Charge0
Average Mass1503.802
Monoisotopic Mass1502.85960
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)N2CC(C)C[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChIInChI=1S/C71H118N14O21/c1-15-18-44(89)30-42-31-52(92)79-54(38(11)16-2)64(98)83-57(59(93)36(8)9)67(101)75-45(25-26-106-71(73)105)60(94)77-47(27-34(4)5)61(95)76-46(23-24-51(72)91)69(103)84(14)58(39(12)17-3)68(102)82-56(50(90)33-86)66(100)80-53(35(6)7)70(104)85-32-37(10)28-49(85)63(97)78-48(29-41-19-21-43(88)22-20-41)62(96)81-55(40(13)87)65(99)74-42/h19-22,34-40,42,44-50,53-59,86-90,93H,15-18,23-33H2,1-14H3,(H2,72,91)(H2,73,105)(H,74,99)(H,75,101)(H,76,95)(H,77,94)(H,78,97)(H,79,92)(H,80,100)(H,81,96)(H,82,102)(H,83,98)/t37?,38-,39+,40-,42-,44?,45+,46+,47-,48-,49+,50?,53-,54+,55+,56-,57-,58+,59?/m1/s1
InChIKeyZKJBREDKJOQBBL-MSVAMHAPSA-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 B5 (CHEBI:221399) is a oligopeptide (CHEBI:25676)