CHEBI:221381 - Heinamide B1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Heinamide B1
ChEBI ID CHEBI:221381
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C71H118N14O22
Net Charge 0
Average Mass 1519.801
Monoisotopic Mass 1518.85451
InChI InChI=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
InChIKey IZQUHJWJDZNBAZ-ZLQXIAIFSA-N
SMILES O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1CCC(=O)N)=O)CC(C)C)=O)CCOC(=O)N)=O)C(O)C(C)C)=O)[C@@H](CC)C)=O)CC(O)CCC)[C@H](O)C)CC3=CC=C(O)C=C3)[C@@H](O)C(C2)C)C(C)C)C(O)CO)[C@H](CC)C)C
Metabolite of Species Details
Nostocspecies UHCC 0702 (NCBI:txid2814655) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Heinamide B1 (CHEBI:221381) is a oligopeptide (CHEBI:25676)