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CHEBI:221393 - Heinamide B4

ChEBI IDCHEBI:221393
ChEBI NameHeinamide B4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC71H118N14O21
Net Charge0
Average Mass1503.802
Monoisotopic Mass1502.85960
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)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/C71H118N14O21/c1-15-18-19-20-42-31-50(91)79-52(37(10)16-2)63(97)83-55(58(92)36(8)9)66(100)75-44(27-28-106-71(73)105)60(94)77-46(29-34(4)5)61(95)76-45(25-26-49(72)90)69(103)84(14)56(38(11)17-3)67(101)82-54(48(89)33-86)65(99)80-51(35(6)7)70(104)85-32-39(12)59(93)57(85)68(102)78-47(30-41-21-23-43(88)24-22-41)62(96)81-53(40(13)87)64(98)74-42/h21-24,34-40,42,44-48,51-59,86-89,92-93H,15-20,25-33H2,1-14H3,(H2,72,90)(H2,73,105)(H,74,98)(H,75,100)(H,76,95)(H,77,94)(H,78,102)(H,79,91)(H,80,99)(H,81,96)(H,82,101)(H,83,97)/t37-,38+,39?,40-,42-,44+,45+,46-,47-,48?,51-,52+,53+,54-,55-,56+,57+,58?,59+/m1/s1
InChIKeyAMUCLYNBUQYTIJ-TUQCQTJRSA-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 B4 (CHEBI:221393) is a oligopeptide (CHEBI:25676)