H2N-NLFQVVHNSYNRPAYSP-N-[2-({5-[(2-{[alpha-L-Rhap-(1->3)-beta-D-Glcp]oxy}ethyl)sulfinyl]pentanoyl}[2-(4-amino-4-oxobutanamido)ethyl]amino)ethyl]-G-NH2 (CHEBI:132548)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132548 - H₂N-NLFQVVHNSYNRPAYSP-N-[2-({5-[(2-{[α-L-Rhap-(1→3)-β-D-Glcp]oxy}ethyl)sulfinyl]pentanoyl}[2-(4-amino-4-oxobutanamido)ethyl]amino)ethyl]-G-NH₂

Take structure to advanced search

ChEBI ID	CHEBI:132548
ChEBI Name	H₂N-NLFQVVHNSYNRPAYSP-N-[2-({5-[(2-{[α-L-Rhap-(1→3)-β-D-Glcp]oxy}ethyl)sulfinyl]pentanoyl}[2-(4-amino-4-oxobutanamido)ethyl]amino)ethyl]-G-NH₂
Stars
ASCII Name	H2N-NLFQVVHNSYNRPAYSP-N-[2-({5-[(2-{[alpha-L-Rhap-(1->3)-beta-D-Glcp]oxy}ethyl)sulfinyl]pentanoyl}[2-(4-amino-4-oxobutanamido)ethyl]amino)ethyl]-G-NH2
Definition	A carbohydrate-functionalised sequence-defined oligo(amidoamine) in which an Asn-Leu-Phe-Gln-Val-Val-His-Asn-Ser-Tyr-Asn-Arg-Pro-Ala-Tyr-Ser-Pro-Gly amino acid sequence is linked via its terminal glycine residue to the terminal amino group of a (2-{[2-(4-amino-4-oxobutanamido)ethyl]amino}ethyl)amino chain, to the -NH- group proximal to the amino-acid-linked amino group of which is also linked an α-L-rhamnosyl-(1→3)-β-D-glucosyloxy disaccharide unit via a 5-(ethylsulfinyl)pentanoyl chain.
Last Modified	15 July 2016
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C120H183N31O40S
Net Charge	0
Average Mass	2732.028
Monoisotopic Mass	2730.29593
SMILES	CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCN(CCNC(=O)CCC(N)=O)C(=O)CCCCS(=O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O)C(C)C)C(C)C
InChI	InChI=1S/C120H183N31O40S/c1-59(2)45-73(139-102(171)70(121)50-87(124)159)104(173)140-75(46-64-17-10-9-11-18-64)105(174)136-71(31-32-85(122)157)103(172)147-94(61(5)6)115(184)148-93(60(3)4)114(183)144-77(49-67-53-129-58-134-67)108(177)143-79(52-89(126)161)110(179)145-80(55-152)111(180)141-76(48-66-25-29-69(156)30-26-66)106(175)142-78(51-88(125)160)109(178)137-72(19-14-35-132-120(127)128)116(185)151-39-16-21-83(151)113(182)135-62(7)101(170)138-74(47-65-23-27-68(155)28-24-65)107(176)146-81(56-153)117(186)150-38-15-20-82(150)112(181)133-54-91(163)131-37-41-149(40-36-130-90(162)34-33-86(123)158)92(164)22-12-13-43-192(187)44-42-188-118-99(169)100(96(166)84(57-154)190-118)191-119-98(168)97(167)95(165)63(8)189-119/h9-11,17-18,23-30,53,58-63,70-84,93-100,118-119,152-156,165-169H,12-16,19-22,31-52,54-57,121H2,1-8H3,(H2,122,157)(H2,123,158)(H2,124,159)(H2,125,160)(H2,126,161)(H,129,134)(H,130,162)(H,131,163)(H,133,181)(H,135,182)(H,136,174)(H,137,178)(H,138,170)(H,139,171)(H,140,173)(H,141,180)(H,142,175)(H,143,177)(H,144,183)(H,145,179)(H,146,176)(H,147,172)(H,148,184)(H4,127,128,132)/t62-,63-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,93-,94-,95-,96+,97+,98+,99+,100-,118+,119-,192?/m0/s1
InChIKey	ZRKBCAVBEOIKSR-WIOSXGCMSA-N

ChEBI Ontology

Outgoing Relation(s)
	H₂N-NLFQVVHNSYNRPAYSP-N-[2-({5-[(2-{[α-L-Rhap-(1→3)-β-D-Glcp]oxy}ethyl)sulfinyl]pentanoyl}[2-(4-amino-4-oxobutanamido)ethyl]amino)ethyl]-G-NH₂ (CHEBI:132548) is a oligo(amidoamine) (CHEBI:132560)

IUPAC Name
L-asparaginyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-valyl-L-valyl-L-histidyl-L-asparaginyl-L-seryl-L-tyrosyl-L-asparaginyl-L-arginyl-L-prolyl-L-alanyl-L-tyrosyl-L-seryl-L-prolyl-N-[2-({5-[(2-{[α-L-rhamnopyranosyl-(1→3)-β-D-glucopyranosyl]oxy}ethyl)sulfinyl]pentanoyl}[2-(4-amino-4-oxobutanamido)ethyl]amino)ethyl]glycinamide

Synonyms	Source
L-asparaginyl-L-leucyl-L-phenylalanyl-L-glutaminyl-L-valyl-L-valyl-L-histidyl-L-asparaginyl-L-seryl-L-tyrosyl-L-asparaginyl-L-arginyl-L-prolyl-L-alanyl-L-tyrosyl-L-seryl-L-prolyl-N-[2-({5-[(2-{[6-deoxy-α-L-mannopyranosyl-(1→3)-β-D-glucopyranosyl]oxy}ethyl)sulfinyl]pentanoyl}[2-(4-amino-4-oxobutanamido)ethyl]amino)ethyl]glycinamide	IUPAC
Asn-Leu-Phe-Gln-Val-Val-His-Asn-Ser-Tyr-Asn-Arg-Pro-Ala-Tyr-Ser-Pro-N-[2-({5-[(2-{[α-L-rhamnopyranosyl-(1→3)-β-D-glucopyranosyl]oxy}ethyl)sulfinyl]pentanoyl}[2-(4-amino-4-oxobutanamido)ethyl]amino)ethyl]glycinamide	ChEBI
Asn-Leu-Phe-Gln-Val-Val-His-Asn-Ser-Tyr-Asn-Arg-Pro-Ala-Tyr-Ser-Pro-N-[2-({5-[(2-{[α-L-Rha-(1→3)-β-D-Glc]oxy}ethyl)sulfinyl]pentanoyl}[2-(4-amino-4-oxobutanamido)ethyl]amino)ethyl]glycinamide	ChEBI

Citations