CHEBI:66149 - koshikamide A2

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ChEBI Name koshikamide A2
ChEBI ID CHEBI:66149
ChEBI ASCII Name koshikamide A2
Definition A polypeptide isolated from a marine sponge Theonella sp. and has been found to inhibit the growth of P388 murine leukemia cells.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C72H112N16O16
Net Charge 0
Average Mass 1457.75730
Monoisotopic Mass 1456.84422
InChI InChI=1S/C72H112N16O16/c1-15-44(8)60(86(13)66(97)54(39-56(74)90)83(10)69(100)58(42(4)5)84(11)64(95)49(78-57(91)40-104-14)36-45-25-18-16-19-26-45)70(101)85(12)59(43(6)7)68(99)82(9)53(35-41(2)3)63(94)80-48(38-55(73)89)61(92)81-50(37-46-27-20-17-21-28-46)65(96)88-34-24-31-52(88)67(98)87-33-23-30-51(87)62(93)79-47(71(102)103)29-22-32-77-72(75)76/h16-21,25-28,41-44,47-54,58-60H,15,22-24,29-40H2,1-14H3,(H2,73,89)(H2,74,90)(H,78,91)(H,79,93)(H,80,94)(H,81,92)(H,102,103)(H4,75,76,77)/t44-,47+,48+,49-,50-,51+,52+,53+,54+,58+,59+,60+/m1/s1
InChIKey PVNHQFDEZUKBIC-WTXRDLOOSA-N
SMILES CC[C@@H](C)[C@H](N(C)C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)COC)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Metabolite of Species Details
Theonella sp. (NCBI:txid73791) 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 )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing koshikamide A2 (CHEBI:66149) has role antineoplastic agent (CHEBI:35610)
koshikamide A2 (CHEBI:66149) has role metabolite (CHEBI:25212)
koshikamide A2 (CHEBI:66149) is a polypeptide (CHEBI:15841)
IUPAC Name
N-(methoxyacetyl)-D-phenylalanyl-N-methyl-L-valyl-N2-methyl-L-asparaginyl-N-methyl-L-alloisoleucyl-N-methyl-L-valyl-N-methyl-L-leucyl-L-asparaginyl-D-phenylalanyl-L-prolyl-L-prolyl-L-arginine
Registry Number Type Source
11016649 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16041137 PubMed citation Europe PMC
Last Modified
18 March 2013