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CHEBI:221369 - Heinamide A1

ChEBI IDCHEBI:221369
ChEBI NameHeinamide A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H87N11O16
Net Charge0
Average Mass1218.417
Monoisotopic Mass1217.63323
SMILESC/C=C1/NC(=O)[C@H](CO)NC(=O)C[C@@H](CCCCC)NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
InChIInChI=1S/C60H87N11O16/c1-7-10-12-17-37-25-49(77)63-45(31-72)54(81)64-41(9-3)59(86)71-30-40(76)27-48(71)57(84)68-46(32-73)55(82)66-43(23-36-18-20-38(74)21-19-36)52(79)65-42(22-33(4)5)53(80)69-51(34(6)8-2)58(85)67-44(24-35-15-13-11-14-16-35)60(87)70-29-39(75)26-47(70)56(83)61-28-50(78)62-37/h9,11,13-16,18-21,33-34,37,39-40,42-48,51,72-76H,7-8,10,12,17,22-32H2,1-6H3,(H,61,83)(H,62,78)(H,63,77)(H,64,81)(H,65,79)(H,66,82)(H,67,85)(H,68,84)(H,69,80)/b41-9+/t34-,37+,39+,40+,42+,43+,44+,45-,46-,47-,48-,51-/m0/s1
InChIKeyQVLTZWVEFSYWKB-WWEICQCCSA-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 A1 (CHEBI:221369) is a peptide (CHEBI:16670)