Preferred Name

daptomycin

Synonyms

daptomycin

N-decanoyl-L-tryptophyl-L-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-alpha-asparagine

Daptomycin

Cubicin

daptomycine

N-decanoyl-L-tryptophyl-L-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine epsilon(1)-lactone

Cidecin

N-decanoyl-L-tryptophyl-L-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine 1.13-3.4-lactone

LY 146032

daptomicina

daptomycinum

Definitions

A polypeptide comprising N-decanoyltryptophan, asparagine, aspartic acid, threonine, glycine, ornithine, aspartic acid, D-alanine, aspartic acid, glycine, D-serine, threo-3-methylglutamic acid and 3-anthraniloylalanine (also known as kynurinine) coupled in sequence and lactonised by condensation of the carboxylic acid group of the 3-anthraniloylalanine with the alcohol group of the threonine residue.

ID

http://purl.obolibrary.org/obo/CHEBI_600103

charge

0

database_cross_reference

PMID:15870461

PMID:15227539

PMID:15271343

DrugBank:DB00080

PMID:14622998

PMID:18989686

PMID:19303806

PMID:17402833

KEGG:C12013

Wikipedia:Daptomycin

PMID:16311632

CAS:103060-53-3

PMID:19875242

PMID:15815985

PMID:15500379

PMID:19015332

PMID:20522545

PMID:18360590

KEGG:D01080

definition

A polypeptide comprising N-decanoyltryptophan, asparagine, aspartic acid, threonine, glycine, ornithine, aspartic acid, D-alanine, aspartic acid, glycine, D-serine, threo-3-methylglutamic acid and 3-anthraniloylalanine (also known as kynurinine) coupled in sequence and lactonised by condensation of the carboxylic acid group of the 3-anthraniloylalanine with the alcohol group of the threonine residue.

formula

C72H101N17O26

has role

http://purl.obolibrary.org/obo/CHEBI_140190

http://purl.obolibrary.org/obo/CHEBI_36047

http://purl.obolibrary.org/obo/CHEBI_76969

has_alternative_id

CHEBI:478255

CHEBI:321017

CHEBI:478132

CHEBI:29570

has_exact_synonym

daptomycin

N-decanoyl-L-tryptophyl-L-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-alpha-asparagine

Daptomycin

has_obo_namespace

chebi_ontology

has_related_synonym

Cubicin

daptomycine

daptomycin

N-decanoyl-L-tryptophyl-L-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine epsilon(1)-lactone

Cidecin

N-decanoyl-L-tryptophyl-L-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine 1.13-3.4-lactone

LY 146032

daptomicina

daptomycinum

id

CHEBI:600103

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1

inchikey

DOAKLVKFURWEDJ-RWDRXURGSA-N

label

daptomycin

mass

1620.67060

monoisotopicmass

1619.71037

notation

CHEBI:600103

prefLabel

daptomycin

smiles

CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC1=O)[C@H](C)CC(O)=O

treeView

http://purl.obolibrary.org/obo/CHEBI_46895

http://purl.obolibrary.org/obo/CHEBI_25061

http://purl.obolibrary.org/obo/CHEBI_25106

http://purl.obolibrary.org/obo/CHEBI_24533

http://purl.obolibrary.org/obo/CHEBI_51026

subClassOf

http://purl.obolibrary.org/obo/CHEBI_46895

http://purl.obolibrary.org/obo/CHEBI_25061

http://purl.obolibrary.org/obo/CHEBI_25106

http://purl.obolibrary.org/obo/CHEBI_24533

http://purl.obolibrary.org/obo/CHEBI_51026

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_600103 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600103 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600103 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600103 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600103 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600103 PHIPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_600103 GENEPIO SAME_URI
http://purl.obolibrary.org/obo/OMIT_0017911 OMIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D12.644.365.500 RH-MESH LOOM
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http://www.phoc.org.cn/pmo/class/PMO_00018775 PMAPP-PMO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D10.477.500 RH-MESH LOOM
http://purl.bioontology.org/ontology/RXNORM/22299 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D12.644.641.270 RH-MESH LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000469015 PDQ LOOM
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http://purl.bioontology.org/ontology/NDFRT/N0000148828 NDFRT LOOM
http://stirdf.jst.go.jp/id/200907085673140365 IOBC LOOM
http://purl.obolibrary.org/obo/NCIT_C47470 BERO LOOM
https://go.drugbank.com/drugs/DB00080 MDM LOOM
http://purl.bioontology.org/ontology/ATC/J01XX09 ATC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.345.566.270 RH-MESH LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47470 NCIT LOOM
http://purl.obolibrary.org/obo/CHEBI_600103 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_600103 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_600103 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_600103 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_600103 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_600103 PHIPO LOOM
http://purl.obolibrary.org/obo/CHEBI_600103 GENEPIO LOOM
http://purl.bioontology.org/ontology/LNC/LP33354-9 LOINC LOOM
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http://purl.bioontology.org/ontology/VANDF/4021414 VANDF LOOM
http://purl.jp/bio/4/id/200906072716879701 IOBC LOOM
http://purl.obolibrary.org/obo/ARO_0000068 ARO LOOM
http://purl.bioontology.org/ontology/NDDF/003222 NDDF LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D017576 RH-MESH LOOM
http://purl.bioontology.org/ontology/LNC/MTHU060556 LOINC LOOM