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CHEBI:221381 - Heinamide B1

ChEBI IDCHEBI:221381
ChEBI NameHeinamide B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC71H118N14O22
Net Charge0
Average Mass1519.801
Monoisotopic Mass1518.85451
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@H](O)[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChIInChI=1S/C71H118N14O22/c1-15-18-43(89)29-41-30-50(92)79-52(36(10)16-2)63(98)83-55(58(93)35(8)9)66(101)75-44(25-26-107-71(73)106)60(95)77-46(27-33(4)5)61(96)76-45(23-24-49(72)91)69(104)84(14)56(37(11)17-3)67(102)82-54(48(90)32-86)65(100)80-51(34(6)7)70(105)85-31-38(12)59(94)57(85)68(103)78-47(28-40-19-21-42(88)22-20-40)62(97)81-53(39(13)87)64(99)74-41/h19-22,33-39,41,43-48,51-59,86-90,93-94H,15-18,23-32H2,1-14H3,(H2,72,91)(H2,73,106)(H,74,99)(H,75,101)(H,76,96)(H,77,95)(H,78,103)(H,79,92)(H,80,100)(H,81,97)(H,82,102)(H,83,98)/t36-,37+,38?,39-,41-,43?,44+,45+,46-,47-,48?,51-,52+,53+,54-,55-,56+,57+,58?,59+/m1/s1
InChIKeyIZQUHJWJDZNBAZ-ZLQXIAIFSA-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 B1 (CHEBI:221381) is a oligopeptide (CHEBI:25676)